1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C123H149N23O8 — CID 158855509

IUPAC1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1=NCc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cccc2cnccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cncc2ccccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)ncnc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)noc12
InChIInChI=1S/C18H22N4O.3C18H21N3O.C17H22N4O.C17H21N3O2.C17H21N3O/c1-10-5-4-6-11-15(10)20-9-21-16(11)18(2,3)22-17(23)14-12-7-19-8-13(12)14;1-18(2,21-17(22)16-13-9-20-10-14(13)16)15-5-3-4-11-8-19-7-6-12(11)15;1-18(2,7-15(22)16-12-8-19-9-13(12)16)17-11-5-3-4-6-14(11)20-10-21-17;1-18(2,21-17(22)16-13-8-20-9-14(13)16)15-10-19-7-11-5-3-4-6-12(11)15;1-9-5-4-6-10-14(9)20-21-15(10)17(2,3)19-16(22)13-11-7-18-8-12(11)13;1-9-5-4-6-10-14(9)22-20-15(10)17(2,3)19-16(21)13-11-7-18-8-12(11)13;1-17(2,15-11-6-4-3-5-10(11)7-19-15)20-16(21)14-12-8-18-9-13(12)14/h4-6,9,12-14,19H,7-8H2,1-3H3,(H,22,23);3-8,13-14,16,20H,9-10H2,1-2H3,(H,21,22);3-6,10,12-13,16,19H,7-9H2,1-2H3;3-7,10,13-14,16,20H,8-9H2,1-2H3,(H,21,22);4-6,11-13,18H,7-8H2,1-3H3,(H,19,22)(H,20,21);4-6,11-13,18H,7-8H2,1-3H3,(H,19,21);3-6,12-14,18H,7-9H2,1-2H3,(H,20,21)/t12-,13+,14?;13-,14+,16?;12-,13+,16?;13-,14+,16?;2*11-,12+,13?;12-,13+,14?
InChIKeyIZZOYASEUBERKQ-RCMQPLOWSA-N
MW2077.70 g/mol
LogP13.18
Rot. Bonds22

About 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158855509) has the molecular formula C123H149N23O8 and a molecular weight of 2077.70 g/mol. Its IUPAC name is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID158855509
Molecular FormulaC123H149N23O8
Molecular Weight2077.70 g/mol
Exact Mass2076.20
IUPAC Name1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1=NCc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cccc2cnccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cncc2ccccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)ncnc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)noc12
InChIInChI=1S/C18H22N4O.3C18H21N3O.C17H22N4O.C17H21N3O2.C17H21N3O/c1-10-5-4-6-11-15(10)20-9-21-16(11)18(2,3)22-17(23)14-12-7-19-8-13(12)14;1-18(2,21-17(22)16-13-9-20-10-14(13)16)15-5-3-4-11-8-19-7-6-12(11)15;1-18(2,7-15(22)16-12-8-19-9-13(12)16)17-11-5-3-4-6-14(11)20-10-21-17;1-18(2,21-17(22)16-13-8-20-9-14(13)16)15-10-19-7-11-5-3-4-6-12(11)15;1-9-5-4-6-10-14(9)20-21-15(10)17(2,3)19-16(22)13-11-7-18-8-12(11)13;1-9-5-4-6-10-14(9)22-20-15(10)17(2,3)19-16(21)13-11-7-18-8-12(11)13;1-17(2,15-11-6-4-3-5-10(11)7-19-15)20-16(21)14-12-8-18-9-13(12)14/h4-6,9,12-14,19H,7-8H2,1-3H3,(H,22,23);3-8,13-14,16,20H,9-10H2,1-2H3,(H,21,22);3-6,10,12-13,16,19H,7-9H2,1-2H3;3-7,10,13-14,16,20H,8-9H2,1-2H3,(H,21,22);4-6,11-13,18H,7-8H2,1-3H3,(H,19,22)(H,20,21);4-6,11-13,18H,7-8H2,1-3H3,(H,19,21);3-6,12-14,18H,7-9H2,1-2H3,(H,20,21)/t12-,13+,14?;13-,14+,16?;12-,13+,16?;13-,14+,16?;2*11-,12+,13?;12-,13+,14?
InChIKeyIZZOYASEUBERKQ-RCMQPLOWSA-N
XLogP13.18
TPSA420.29 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002077.70
LogP ≤ 513.18
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbenzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-methyl-7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(oxetan-3-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 157623528
2,1-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(1H-pyrazol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)pyridazin-3-yl]methanone
CID 161934779
3-[4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-6-pyridin-2-yl-1-quinolin-2-yl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinolin-3-yl]-1,2-benzoxazole
CID 141151178
2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 157119029
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157491312
3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-2-propan-2-ylquinoline;3-tert-butyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline;2,3-ditert-butylbenzo[h]quinoline;5,6-ditert-butyl-1H-imidazo[4,5-b]pyridine;5,6-ditert-butyl-1H-pyrazolo[3,4-b]pyridine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);5,6-ditert-butyl-1H-pyrrolo[2,3-b]pyridine;3,4-ditert-butylquinoline
CID 157533931
benzene;1,2-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;isoquinoline;1,7-naphthyridine;phthalazine;pyrazolo[1,5-a]pyridine;pyridine;quinazoline;quinoline
CID 157566423
3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 157640980
3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-indazol-3-yl)-3-(2-methylpropyl)-1,2-benzoxazol-6-amine;3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(2-methylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 157680834
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157802222
3-tert-butyl-3,3a-dihydro-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-1,2-benzoxazole;5-tert-butyl-7H-cyclopenta[c]pyridine;3-tert-butyl-1,3-dihydroindol-2-one;3-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-tert-butyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;3-tert-butyl-1,3-dihydropyrrolo[3,2-c]pyridin-2-one;3-tert-butylimidazo[1,5-a]pyridine;3-tert-butylimidazo[1,5-c]pyrimidine;3-tert-butyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-7-one;12-tert-butyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-6,9,11-trien-4-one;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrimidine;3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 157939097

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 158855509) is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1=NCc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cccc2cnccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cncc2ccccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)ncnc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)noc12.
What is the InChIKey of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is IZZOYASEUBERKQ-RCMQPLOWSA-N. The full InChI is InChI=1S/C18H22N4O.3C18H21N3O.C17H22N4O.C17H21N3O2.C17H21N3O/c1-10-5-4-6-11-15(10)20-9-21-16(11)18(2,3)22-17(23)14-12-7-19-8-13(12)14;1-18(2,21-17(22)16-13-9-20-10-14(13)16)15-5-3-4-11-8-19-7-6-12(11)15;1-18(2,7-15(22)16-12-8-19-9-13(12)16)17-11-5-3-4-6-14(11)20-10-21-17;1-18(2,21-17(22)16-13-8-20-9-14(13)16)15-10-19-7-11-5-3-4-6-12(11)15;1-9-5-4-6-10-14(9)20-21-15(10)17(2,3)19-16(22)13-11-7-18-8-12(11)13;1-9-5-4-6-10-14(9)22-20-15(10)17(2,3)19-16(21)13-11-7-18-8-12(11)13;1-17(2,15-11-6-4-3-5-10(11)7-19-15)20-16(21)14-12-8-18-9-13(12)14/h4-6,9,12-14,19H,7-8H2,1-3H3,(H,22,23);3-8,13-14,16,20H,9-10H2,1-2H3,(H,21,22);3-6,10,12-13,16,19H,7-9H2,1-2H3;3-7,10,13-14,16,20H,8-9H2,1-2H3,(H,21,22);4-6,11-13,18H,7-8H2,1-3H3,(H,19,22)(H,20,21);4-6,11-13,18H,7-8H2,1-3H3,(H,19,21);3-6,12-14,18H,7-9H2,1-2H3,(H,20,21)/t12-,13+,14?;13-,14+,16?;12-,13+,16?;13-,14+,16?;2*11-,12+,13?;12-,13+,14?.
What are the key properties of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 2077.70 g/mol, XLogP of 13.18, 22 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-quinazolin-4-ylbutan-1-one;(1S,5R)-N-[2-(3H-isoindol-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158855509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).