1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one

C150H141F3N30O12 — CID 158806455

IUPAC1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one
SMILESC=CC(=O)N1CC2(CCCCC2)CC1c1nc(-c2ccc(C(=O)Cc3ccccn3)cc2)c2c(N)nccn12.C=CC(=O)N1CC2COC[C@]2(c2nc(-c3ccc(C(=O)Cc4ccccn4)cc3)c3c(N)nccn23)C1.CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CC2(CCCCC2)CC1c1nc(-c2ccc(C(=O)Cc3ccccn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CC2COC[C@]2(c2nc(-c3ccc(C(=O)Cc4ccccn4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C32H32N6O2.C31H32N6O2.C30H25F3N6O2.C29H26N6O3.C28H26N6O3/c1-2-8-27(40)38-21-32(14-5-3-6-15-32)20-25(38)31-36-28(29-30(33)35-17-18-37(29)31)23-12-10-22(11-13-23)26(39)19-24-9-4-7-16-34-24;1-2-26(39)37-20-31(13-5-3-6-14-31)19-24(37)30-35-27(28-29(32)34-16-17-36(28)30)22-11-9-21(10-12-22)25(38)18-23-8-4-7-15-33-23;1-2-3-24(41)39-17-29(9-10-29)16-22(39)28-37-25(26-27(34)36-12-13-38(26)28)19-6-4-18(5-7-19)23(40)15-21-14-20(8-11-35-21)30(31,32)33;1-2-5-24(37)34-15-21-16-38-18-29(21,17-34)28-33-25(26-27(30)32-12-13-35(26)28)20-9-7-19(8-10-20)23(36)14-22-6-3-4-11-31-22;1-2-23(36)33-14-20-15-37-17-28(20,16-33)27-32-24(25-26(29)31-11-12-34(25)27)19-8-6-18(7-9-19)22(35)13-21-5-3-4-10-30-21/h4,7,9-13,16-18,25H,3,5-6,14-15,19-21H2,1H3,(H2,33,35);2,4,7-12,15-17,24H,1,3,5-6,13-14,18-20H2,(H2,32,34);4-8,11-14,22H,9-10,15-17H2,1H3,(H2,34,36);3-4,6-13,21H,14-18H2,1H3,(H2,30,32);2-12,20H,1,13-17H2,(H2,29,31)/t;;;21?,29-;20?,28-/m...11/s1
InChIKeyIUDFHFMKQBVFIS-ALCHJBSESA-N
MW2612.97 g/mol
LogP20.41
Rot. Bonds27

About 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one

1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one (PubChem CID 158806455) has the molecular formula C150H141F3N30O12 and a molecular weight of 2612.97 g/mol. Its IUPAC name is 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one.

Molecular Properties

Compound Name1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one
PubChem CID158806455
Molecular FormulaC150H141F3N30O12
Molecular Weight2612.97 g/mol
Exact Mass2611.13
IUPAC Name1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one
SMILESC=CC(=O)N1CC2(CCCCC2)CC1c1nc(-c2ccc(C(=O)Cc3ccccn3)cc2)c2c(N)nccn12.C=CC(=O)N1CC2COC[C@]2(c2nc(-c3ccc(C(=O)Cc4ccccn4)cc3)c3c(N)nccn23)C1.CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CC2(CCCCC2)CC1c1nc(-c2ccc(C(=O)Cc3ccccn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CC2COC[C@]2(c2nc(-c3ccc(C(=O)Cc4ccccn4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C32H32N6O2.C31H32N6O2.C30H25F3N6O2.C29H26N6O3.C28H26N6O3/c1-2-8-27(40)38-21-32(14-5-3-6-15-32)20-25(38)31-36-28(29-30(33)35-17-18-37(29)31)23-12-10-22(11-13-23)26(39)19-24-9-4-7-16-34-24;1-2-26(39)37-20-31(13-5-3-6-14-31)19-24(37)30-35-27(28-29(32)34-16-17-36(28)30)22-11-9-21(10-12-22)25(38)18-23-8-4-7-15-33-23;1-2-3-24(41)39-17-29(9-10-29)16-22(39)28-37-25(26-27(34)36-12-13-38(26)28)19-6-4-18(5-7-19)23(40)15-21-14-20(8-11-35-21)30(31,32)33;1-2-5-24(37)34-15-21-16-38-18-29(21,17-34)28-33-25(26-27(30)32-12-13-35(26)28)20-9-7-19(8-10-20)23(36)14-22-6-3-4-11-31-22;1-2-23(36)33-14-20-15-37-17-28(20,16-33)27-32-24(25-26(29)31-11-12-34(25)27)19-8-6-18(7-9-19)22(35)13-21-5-3-4-10-30-21/h4,7,9-13,16-18,25H,3,5-6,14-15,19-21H2,1H3,(H2,33,35);2,4,7-12,15-17,24H,1,3,5-6,13-14,18-20H2,(H2,32,34);4-8,11-14,22H,9-10,15-17H2,1H3,(H2,34,36);3-4,6-13,21H,14-18H2,1H3,(H2,30,32);2-12,20H,1,13-17H2,(H2,29,31)/t;;;21?,29-;20?,28-/m...11/s1
InChIKeyIUDFHFMKQBVFIS-ALCHJBSESA-N
XLogP20.41
TPSA550.86 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002612.97
LogP ≤ 520.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one with MolForge

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Related Compounds

4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
4-[3-[(2S)-5-[2-[[4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]benzoyl]amino]pyridin-4-yl]-1-prop-2-enoylpiperidin-2-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 142437314
tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate;tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrrol-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157087798
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408
N-(cyclopropylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(1-methoxybutan-2-yl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 157332462
4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide;4-[3-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-5-ethoxy-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;N-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-[5-ethoxy-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
CID 157525781
4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide;N-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-[5-ethoxy-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;methane
CID 157937371
1-[3-[8-Amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one;1-[1-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]but-2-yn-1-one;1-[1-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
CID 158417384
(7S)-N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate;tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrrol-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158824217
4-[3-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide;4-[3-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[5-ethoxy-3-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 158926104
CID 158964939
CID 158964939
1-[(3R)-3-[1-[4-[2-[4-(1,1-difluoroethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;N-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-[3-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
CID 158965054

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one?
The IUPAC name of 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one (CID 158806455) is 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one.
What is the SMILES notation for 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one?
The canonical SMILES for 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one is C=CC(=O)N1CC2(CCCCC2)CC1c1nc(-c2ccc(C(=O)Cc3ccccn3)cc2)c2c(N)nccn12.C=CC(=O)N1CC2COC[C@]2(c2nc(-c3ccc(C(=O)Cc4ccccn4)cc3)c3c(N)nccn23)C1.CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CC2(CCCCC2)CC1c1nc(-c2ccc(C(=O)Cc3ccccn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CC2COC[C@]2(c2nc(-c3ccc(C(=O)Cc4ccccn4)cc3)c3c(N)nccn23)C1.
What is the InChIKey of 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one?
The InChIKey is IUDFHFMKQBVFIS-ALCHJBSESA-N. The full InChI is InChI=1S/C32H32N6O2.C31H32N6O2.C30H25F3N6O2.C29H26N6O3.C28H26N6O3/c1-2-8-27(40)38-21-32(14-5-3-6-15-32)20-25(38)31-36-28(29-30(33)35-17-18-37(29)31)23-12-10-22(11-13-23)26(39)19-24-9-4-7-16-34-24;1-2-26(39)37-20-31(13-5-3-6-14-31)19-24(37)30-35-27(28-29(32)34-16-17-36(28)30)22-11-9-21(10-12-22)25(38)18-23-8-4-7-15-33-23;1-2-3-24(41)39-17-29(9-10-29)16-22(39)28-37-25(26-27(34)36-12-13-38(26)28)19-6-4-18(5-7-19)23(40)15-21-14-20(8-11-35-21)30(31,32)33;1-2-5-24(37)34-15-21-16-38-18-29(21,17-34)28-33-25(26-27(30)32-12-13-35(26)28)20-9-7-19(8-10-20)23(36)14-22-6-3-4-11-31-22;1-2-23(36)33-14-20-15-37-17-28(20,16-33)27-32-24(25-26(29)31-11-12-34(25)27)19-8-6-18(7-9-19)22(35)13-21-5-3-4-10-30-21/h4,7,9-13,16-18,25H,3,5-6,14-15,19-21H2,1H3,(H2,33,35);2,4,7-12,15-17,24H,1,3,5-6,13-14,18-20H2,(H2,32,34);4-8,11-14,22H,9-10,15-17H2,1H3,(H2,34,36);3-4,6-13,21H,14-18H2,1H3,(H2,30,32);2-12,20H,1,13-17H2,(H2,29,31)/t;;;21?,29-;20?,28-/m...11/s1.
What are the key properties of 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one?
1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one has a molecular weight of 2612.97 g/mol, XLogP of 20.41, 27 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]but-2-yn-1-one;1-[(3aS)-3a-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]prop-2-en-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-azaspiro[4.5]decan-2-yl]prop-2-en-1-one;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one is sourced from PubChem (CID 158806455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).