2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

C53H50ClF2N11O7 — CID 123545075

IUPAC2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1.Cc1cc(F)ccc1-c1ncc2n1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc1Cl)C2
InChIInChI=1S/C27H25ClFN5O3.C26H25FN6O4/c1-15-9-16(29)5-6-18(15)25-30-12-17-13-33(7-8-34(17)25)26(36)20-10-19-21(24(35)27(37)31(2)3)14-32(4)23(19)11-22(20)28;1-14-9-15(27)5-6-17(14)23-29-11-16-13-32(7-8-33(16)23)25(35)19-10-18-20(21(34)26(36)31(2)3)12-28-22(18)30-24(19)37-4/h5-6,9-12,14H,7-8,13H2,1-4H3;5-6,9-12H,7-8,13H2,1-4H3,(H,28,30)
InChIKeyFIRMWQDQVSCKKN-UHFFFAOYSA-N
MW1026.50 g/mol
LogP6.88
Rot. Bonds9

About 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 123545075) has the molecular formula C53H50ClF2N11O7 and a molecular weight of 1026.50 g/mol. Its IUPAC name is 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID123545075
Molecular FormulaC53H50ClF2N11O7
Molecular Weight1026.50 g/mol
Exact Mass1025.36
IUPAC Name2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1.Cc1cc(F)ccc1-c1ncc2n1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc1Cl)C2
InChIInChI=1S/C27H25ClFN5O3.C26H25FN6O4/c1-15-9-16(29)5-6-18(15)25-30-12-17-13-33(7-8-34(17)25)26(36)20-10-19-21(24(35)27(37)31(2)3)14-32(4)23(19)11-22(20)28;1-14-9-15(27)5-6-17(14)23-29-11-16-13-32(7-8-33(16)23)25(35)19-10-18-20(21(34)26(36)31(2)3)12-28-22(18)30-24(19)37-4/h5-6,9-12,14H,7-8,13H2,1-4H3;5-6,9-12H,7-8,13H2,1-4H3,(H,28,30)
InChIKeyFIRMWQDQVSCKKN-UHFFFAOYSA-N
XLogP6.88
TPSA193.86 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001026.50
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

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Related Compounds

2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 58378147
2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 123497760
(6-chloro-1-methylindol-5-yl)-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;(2,4-difluorophenyl)-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;(2,4-difluorophenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 123646811
N-[4-[1-(4-chloro-2-methoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(1H-indole-2-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157729617
2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 158309443
(E)-4-(5-benzoyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-[5-(2-chloro-6-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;N,N-dimethyl-3-[(E)-3-oxobut-1-enyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-4-[5-(4-fluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(3-methoxy-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;6-[3-[(E)-3-oxobut-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydroinden-1-one;N,N,6-trimethyl-5-[3-[(E)-3-oxobut-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
CID 158313805
2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(2,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 159325524
2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane
CID 159476988
dichloromethane;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;pyrrolidine
CID 159722521
1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate
CID 160658114
1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;pyrrolidine
CID 162155859
2-[5-[3-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 53341367

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 123545075) is 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1.Cc1cc(F)ccc1-c1ncc2n1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc1Cl)C2.
What is the InChIKey of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is FIRMWQDQVSCKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O3.C26H25FN6O4/c1-15-9-16(29)5-6-18(15)25-30-12-17-13-33(7-8-34(17)25)26(36)20-10-19-21(24(35)27(37)31(2)3)14-32(4)23(19)11-22(20)28;1-14-9-15(27)5-6-17(14)23-29-11-16-13-32(7-8-33(16)23)25(35)19-10-18-20(21(34)26(36)31(2)3)12-28-22(18)30-24(19)37-4/h5-6,9-12,14H,7-8,13H2,1-4H3;5-6,9-12H,7-8,13H2,1-4H3,(H,28,30).
What are the key properties of 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 1026.50 g/mol, XLogP of 6.88, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[3-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 123545075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).