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

C111H133ClF3N19O6 — CID 159856044

IUPAC1-[(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
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C(F)(F)F)nc2ccccc12.CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(Cl)cccn12.Cc1cc2c(C)nccc2c(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)nnc12.Cc1cccn2c(C3(CC(=O)C4[C@H]5CNC[C@@H]45)CCC3)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1
InChIInChI=1S/C20H25N3O.C19H20F3N3O.2C19H23N3O.C17H20ClN3O.C17H22N4O/c1-11-7-14-12(2)22-6-5-13(14)19(23-11)20(3,4)8-17(24)18-15-9-21-10-16(15)18;1-18(2,7-14(26)15-11-8-23-9-12(11)15)16-10-5-3-4-6-13(10)24-17(25-16)19(20,21)22;1-12-4-2-7-22-15(12)11-21-18(22)19(5-3-6-19)8-16(23)17-13-9-20-10-14(13)17;1-11-21-15-7-5-4-6-12(15)18(22-11)19(2,3)8-16(23)17-13-9-20-10-14(13)17;1-17(2,6-14(22)15-10-7-19-8-11(10)15)16-20-9-13-12(18)4-3-5-21(13)16;1-10-5-4-6-21-15(10)19-20-16(21)17(2,3)7-13(22)14-11-8-18-9-12(11)14/h5-7,15-16,18,21H,8-10H2,1-4H3;3-6,11-12,15,23H,7-9H2,1-2H3;2,4,7,11,13-14,17,20H,3,5-6,8-10H2,1H3;4-7,13-14,17,20H,8-10H2,1-3H3;3-5,9-11,15,19H,6-8H2,1-2H3;4-6,11-12,14,18H,7-9H2,1-3H3/t15-,16+,18?;11-,12+,15?;2*13-,14+,17?;10-,11+,15?;11-,12+,14?
InChIKeyNQNSOXZWZAJQFL-JXRJSGLVSA-N
MW1921.86 g/mol
LogP15.86
Rot. Bonds24

About 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

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 (PubChem CID 159856044) has the molecular formula C111H133ClF3N19O6 and a molecular weight of 1921.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID159856044
Molecular FormulaC111H133ClF3N19O6
Molecular Weight1921.86 g/mol
Exact Mass1920.03
IUPAC Name1-[(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
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C(F)(F)F)nc2ccccc12.CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(Cl)cccn12.Cc1cc2c(C)nccc2c(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)nnc12.Cc1cccn2c(C3(CC(=O)C4[C@H]5CNC[C@@H]45)CCC3)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1
InChIInChI=1S/C20H25N3O.C19H20F3N3O.2C19H23N3O.C17H20ClN3O.C17H22N4O/c1-11-7-14-12(2)22-6-5-13(14)19(23-11)20(3,4)8-17(24)18-15-9-21-10-16(15)18;1-18(2,7-14(26)15-11-8-23-9-12(11)15)16-10-5-3-4-6-13(10)24-17(25-16)19(20,21)22;1-12-4-2-7-22-15(12)11-21-18(22)19(5-3-6-19)8-16(23)17-13-9-20-10-14(13)17;1-11-21-15-7-5-4-6-12(15)18(22-11)19(2,3)8-16(23)17-13-9-20-10-14(13)17;1-17(2,6-14(22)15-10-7-19-8-11(10)15)16-20-9-13-12(18)4-3-5-21(13)16;1-10-5-4-6-21-15(10)19-20-16(21)17(2,3)7-13(22)14-11-8-18-9-12(11)14/h5-7,15-16,18,21H,8-10H2,1-4H3;3-6,11-12,15,23H,7-9H2,1-2H3;2,4,7,11,13-14,17,20H,3,5-6,8-10H2,1H3;4-7,13-14,17,20H,8-10H2,1-3H3;3-5,9-11,15,19H,6-8H2,1-2H3;4-6,11-12,14,18H,7-9H2,1-3H3/t15-,16+,18?;11-,12+,15?;2*13-,14+,17?;10-,11+,15?;11-,12+,14?
InChIKeyNQNSOXZWZAJQFL-JXRJSGLVSA-N
XLogP15.86
TPSA316.73 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.86
LogP ≤ 515.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 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 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
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
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
(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 159988736
(5R)-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;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 160576088
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;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 160576090
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;bis(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 161321650

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C(F)(F)F)nc2ccccc12.CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(Cl)cccn12.Cc1cc2c(C)nccc2c(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)nnc12.Cc1cccn2c(C3(CC(=O)C4[C@H]5CNC[C@@H]45)CCC3)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1.
What is the InChIKey of 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?
The InChIKey is NQNSOXZWZAJQFL-JXRJSGLVSA-N. The full InChI is InChI=1S/C20H25N3O.C19H20F3N3O.2C19H23N3O.C17H20ClN3O.C17H22N4O/c1-11-7-14-12(2)22-6-5-13(14)19(23-11)20(3,4)8-17(24)18-15-9-21-10-16(15)18;1-18(2,7-14(26)15-11-8-23-9-12(11)15)16-10-5-3-4-6-13(10)24-17(25-16)19(20,21)22;1-12-4-2-7-22-15(12)11-21-18(22)19(5-3-6-19)8-16(23)17-13-9-20-10-14(13)17;1-11-21-15-7-5-4-6-12(15)18(22-11)19(2,3)8-16(23)17-13-9-20-10-14(13)17;1-17(2,6-14(22)15-10-7-19-8-11(10)15)16-20-9-13-12(18)4-3-5-21(13)16;1-10-5-4-6-21-15(10)19-20-16(21)17(2,3)7-13(22)14-11-8-18-9-12(11)14/h5-7,15-16,18,21H,8-10H2,1-4H3;3-6,11-12,15,23H,7-9H2,1-2H3;2,4,7,11,13-14,17,20H,3,5-6,8-10H2,1H3;4-7,13-14,17,20H,8-10H2,1-3H3;3-5,9-11,15,19H,6-8H2,1-2H3;4-6,11-12,14,18H,7-9H2,1-3H3/t15-,16+,18?;11-,12+,15?;2*13-,14+,17?;10-,11+,15?;11-,12+,14?.
What are the key properties of 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?
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 has a molecular weight of 1921.86 g/mol, XLogP of 15.86, 24 rotatable bonds, 6 hydrogen bond donors, and 25 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-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 is sourced from PubChem (CID 159856044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).