1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone (CHEBI:47535)

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CHEBI:47535 - 1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone

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ChEBI ID	CHEBI:47535
ChEBI Name	1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone
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ASCII Name	1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone
Last Modified	25 January 2008
Downloads	Molfile

Formula	C27H24F2N6O5
Net Charge	0
Average Mass	550.522
Monoisotopic Mass	550.17762
SMILES	[H]O[C@@]1([H])C([H])([H])N(C(=O)C(=O)C2=C([H])N=C3N=C(OC([H])([H])[H])C(C(=O)N4C([H])([H])c5c([H])nc(-c6c([H])c([H])c(F)c([H])c6F)n5C([H])([H])C4([H])[H])=C([H])[C@@]32[H])C([H])([H])C1([H])[H]
InChI	InChI=1S/C27H24F2N6O5/c1-40-25-19(9-18-20(11-30-23(18)32-25)22(37)27(39)33-5-4-16(36)13-33)26(38)34-6-7-35-15(12-34)10-31-24(35)17-3-2-14(28)8-21(17)29/h2-3,8-11,16,18,36H,4-7,12-13H2,1H3/t16-,18-/m1/s1
InChIKey	LXYRGMYSFZBUSV-SJLPKXTDSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone (CHEBI:47535) is a N-acylpyrrolidine (CHEBI:46766)
	1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone (CHEBI:47535) is a imidazopyrazine (CHEBI:37847)
	1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone (CHEBI:47535) is a organofluorine compound (CHEBI:37143)
	1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone (CHEBI:47535) is a pyrrolopyridine (CHEBI:46771)

Synonyms	Source
1-[(3AR)-5-{[3-(2,4-DIFLUOROPHENYL)-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-METHOXY-3AH-PYRROLO[2,3-B]PYRIDIN-3-YL]-2-[(3R)-3-HYDROXYPYRROLIDIN-1-YL]-2-OXOETHANONE	PDBeChem
1-[(3aR)-5-{[3-(2,4-difluorophenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]carbonyl}-6-methoxy-3aH-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethanone	PDBeChem

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