1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C104H129ClF3N21O6 — CID 158721218

IUPAC1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncnc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnn2c1CCCC2.Cc1cc(F)cn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1cccn2c([C@H](C)NC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(F)c2n1.Cc1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2cccc(F)c12
InChIInChI=1S/C19H22FN3O.C18H20ClN3O.C18H22FN3O.C17H21FN4O.C16H20N4O.C16H24N4O/c1-10-22-17-11(5-4-6-14(17)20)18(23-10)19(2,3)7-15(24)16-12-8-21-9-13(12)16;1-18(2,6-14(23)15-11-7-20-8-12(11)15)17-10-4-3-5-13(19)16(10)21-9-22-17;1-10-4-11(19)9-22-14(10)8-21-17(22)18(2,3)5-15(23)16-12-6-20-7-13(12)16;1-9-14-12(18)5-4-6-22(14)16(20-9)17(2,3)21-15(23)13-10-7-19-8-11(10)13;1-9-4-3-5-20-13(9)8-18-15(20)10(2)19-16(21)14-11-6-17-7-12(11)14;1-16(2,12-9-18-20-6-4-3-5-13(12)20)19-15(21)14-10-7-17-8-11(10)14/h4-6,12-13,16,21H,7-9H2,1-3H3;3-5,9,11-12,15,20H,6-8H2,1-2H3;4,8-9,12-13,16,20H,5-7H2,1-3H3;4-6,10-11,13,19H,7-8H2,1-3H3,(H,21,23);3-5,8,10-12,14,17H,6-7H2,1-2H3,(H,19,21);9-11,14,17H,3-8H2,1-2H3,(H,19,21)/t12-,13+,16?;11-,12+,15?;12-,13+,16?;10-,11+,13?;10-,11-,12+,14?;10-,11+,14?/m....0./s1
InChIKeyIJYBKFHSBDGYQU-VPJAHTJISA-N
MW1861.76 g/mol
LogP12.17
Rot. Bonds21

About 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158721218) has the molecular formula C104H129ClF3N21O6 and a molecular weight of 1861.76 g/mol. Its IUPAC name is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID158721218
Molecular FormulaC104H129ClF3N21O6
Molecular Weight1861.76 g/mol
Exact Mass1860.01
IUPAC Name1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncnc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnn2c1CCCC2.Cc1cc(F)cn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1cccn2c([C@H](C)NC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(F)c2n1.Cc1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2cccc(F)c12
InChIInChI=1S/C19H22FN3O.C18H20ClN3O.C18H22FN3O.C17H21FN4O.C16H20N4O.C16H24N4O/c1-10-22-17-11(5-4-6-14(17)20)18(23-10)19(2,3)7-15(24)16-12-8-21-9-13(12)16;1-18(2,6-14(23)15-11-7-20-8-12(11)15)17-10-4-3-5-13(19)16(10)21-9-22-17;1-10-4-11(19)9-22-14(10)8-21-17(22)18(2,3)5-15(23)16-12-6-20-7-13(12)16;1-9-14-12(18)5-4-6-22(14)16(20-9)17(2,3)21-15(23)13-10-7-19-8-11(10)13;1-9-4-3-5-20-13(9)8-18-15(20)10(2)19-16(21)14-11-6-17-7-12(11)14;1-16(2,12-9-18-20-6-4-3-5-13(12)20)19-15(21)14-10-7-17-8-11(10)14/h4-6,12-13,16,21H,7-9H2,1-3H3;3-5,9,11-12,15,20H,6-8H2,1-2H3;4,8-9,12-13,16,20H,5-7H2,1-3H3;4-6,10-11,13,19H,7-8H2,1-3H3,(H,21,23);3-5,8,10-12,14,17H,6-7H2,1-2H3,(H,19,21);9-11,14,17H,3-8H2,1-2H3,(H,19,21)/t12-,13+,16?;11-,12+,15?;12-,13+,16?;10-,11+,13?;10-,11-,12+,14?;10-,11+,14?/m....0./s1
InChIKeyIJYBKFHSBDGYQU-VPJAHTJISA-N
XLogP12.17
TPSA331.97 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.76
LogP ≤ 512.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 157254683
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-imidazol-1-ylcyclohexyl)methyl]pyrimidine;5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]aniline;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;8-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]spiro[4.5]decan-3-one;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 157740783
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 157972751
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-imidazol-1-ylcyclohexyl)methyl]pyrimidine;5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]aniline;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;8-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]spiro[4.5]decan-3-one;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 158103083
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(3,5-dimethyl-2,6-naphthyridin-1-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159177995
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 159297492
(1S,5R)-N-[2-(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1,7-dimethylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159326151
(4Z)-4-[[5-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[5-[(5-chloro-3-pyridinyl)amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(3,5-dichloro-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159500300
4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 159840788
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(3,5-dimethyl-2,6-naphthyridin-1-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]ethanone;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one
CID 159856044
(1R,5S)-N-[2-(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1,7-dimethylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159913383

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 158721218) is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncnc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnn2c1CCCC2.Cc1cc(F)cn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1cccn2c([C@H](C)NC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(F)c2n1.Cc1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2cccc(F)c12.
What is the InChIKey of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is IJYBKFHSBDGYQU-VPJAHTJISA-N. The full InChI is InChI=1S/C19H22FN3O.C18H20ClN3O.C18H22FN3O.C17H21FN4O.C16H20N4O.C16H24N4O/c1-10-22-17-11(5-4-6-14(17)20)18(23-10)19(2,3)7-15(24)16-12-8-21-9-13(12)16;1-18(2,6-14(23)15-11-7-20-8-12(11)15)17-10-4-3-5-13(19)16(10)21-9-22-17;1-10-4-11(19)9-22-14(10)8-21-17(22)18(2,3)5-15(23)16-12-6-20-7-13(12)16;1-9-14-12(18)5-4-6-22(14)16(20-9)17(2,3)21-15(23)13-10-7-19-8-11(10)13;1-9-4-3-5-20-13(9)8-18-15(20)10(2)19-16(21)14-11-6-17-7-12(11)14;1-16(2,12-9-18-20-6-4-3-5-13(12)20)19-15(21)14-10-7-17-8-11(10)14/h4-6,12-13,16,21H,7-9H2,1-3H3;3-5,9,11-12,15,20H,6-8H2,1-2H3;4,8-9,12-13,16,20H,5-7H2,1-3H3;4-6,10-11,13,19H,7-8H2,1-3H3,(H,21,23);3-5,8,10-12,14,17H,6-7H2,1-2H3,(H,19,21);9-11,14,17H,3-8H2,1-2H3,(H,19,21)/t12-,13+,16?;11-,12+,15?;12-,13+,16?;10-,11+,13?;10-,11-,12+,14?;10-,11+,14?/m....0./s1.
What are the key properties of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1861.76 g/mol, XLogP of 12.17, 21 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158721218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).