(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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C86H105N17O6 — CID 158885124

IUPAC(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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cc2ccccn2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccc2nccn2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cccc2cnccc12.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.C18H21N3O.C17H21N3O2.C17H21N3O.C16H20N4O/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;1-9-5-4-6-10-14(9)22-20-15(10)17(2,3)19-16(21)13-11-7-18-8-12(11)13;1-17(2,11-7-12-5-3-4-6-20(12)10-11)19-16(21)15-13-8-18-9-14(13)15;1-16(2,10-3-4-13-18-5-6-20(13)9-10)19-15(21)14-11-7-17-8-12(11)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);4-6,11-13,18H,7-8H2,1-3H3,(H,19,21);3-7,10,13-15,18H,8-9H2,1-2H3,(H,19,21);3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,19,21)/t12-,13+,14?;13-,14+,16?;11-,12+,13?;13-,14+,15?;11-,12+,14?
InChIKeyJDNMRBCJFKFNKN-LLLVOOITSA-N
MW1472.90 g/mol
LogP8.67
Rot. Bonds15

About (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-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-(8-methylquinazolin-4-yl)propan-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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158885124) has the molecular formula C86H105N17O6 and a molecular weight of 1472.90 g/mol. Its IUPAC name is (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID158885124
Molecular FormulaC86H105N17O6
Molecular Weight1472.90 g/mol
Exact Mass1471.84
IUPAC Name(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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cc2ccccn2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccc2nccn2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cccc2cnccc12.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.C18H21N3O.C17H21N3O2.C17H21N3O.C16H20N4O/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;1-9-5-4-6-10-14(9)22-20-15(10)17(2,3)19-16(21)13-11-7-18-8-12(11)13;1-17(2,11-7-12-5-3-4-6-20(12)10-11)19-16(21)15-13-8-18-9-14(13)15;1-16(2,10-3-4-13-18-5-6-20(13)9-10)19-15(21)14-11-7-17-8-12(11)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);4-6,11-13,18H,7-8H2,1-3H3,(H,19,21);3-7,10,13-15,18H,8-9H2,1-2H3,(H,19,21);3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,19,21)/t12-,13+,14?;13-,14+,16?;11-,12+,13?;13-,14+,15?;11-,12+,14?
InChIKeyJDNMRBCJFKFNKN-LLLVOOITSA-N
XLogP8.67
TPSA292.06 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001472.90
LogP ≤ 58.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139543540
4-(1,2-Benzoxazol-3-yl)-5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;4-[6-(difluoromethyl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;3-[10-(3,3-difluoropiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione;4-imidazo[1,2-a]pyridin-3-yl-5-[6-(2-oxopropyl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane
CID 157242954
4-(1,2-Benzoxazol-3-yl)-5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;4-[6-(difluoromethyl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;3-[10-(3,3-difluoropiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione;4-imidazo[1,2-a]pyridin-3-yl-5-[6-(2-oxopropyl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione
CID 159155135
7-[[3-[[4-[[2-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]indol-1-yl]methyl]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-benzoxazole-3-carboxamide
CID 167142231
2-cyclopropyl-N-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-6-yl]acetamide;2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-6-amine
CID 69191734
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-[2-cyclopropyl-7-(1,3-dimethylpyrrol-2-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 157140342
4-[2-cyclopropyl-7-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-indolizin-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-8-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;methane
CID 157153142
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
N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 157192056
N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine;methane
CID 157236017
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;bis(imidazo[1,2-a]pyrazine);bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157236367

Frequently Asked Questions

What is the IUPAC name of (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 158885124) is (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cc2ccccn2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccc2nccn2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cccc2cnccc12.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 (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JDNMRBCJFKFNKN-LLLVOOITSA-N. The full InChI is InChI=1S/C18H22N4O.C18H21N3O.C17H21N3O2.C17H21N3O.C16H20N4O/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;1-9-5-4-6-10-14(9)22-20-15(10)17(2,3)19-16(21)13-11-7-18-8-12(11)13;1-17(2,11-7-12-5-3-4-6-20(12)10-11)19-16(21)15-13-8-18-9-14(13)15;1-16(2,10-3-4-13-18-5-6-20(13)9-10)19-15(21)14-11-7-17-8-12(11)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);4-6,11-13,18H,7-8H2,1-3H3,(H,19,21);3-7,10,13-15,18H,8-9H2,1-2H3,(H,19,21);3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,19,21)/t12-,13+,14?;13-,14+,16?;11-,12+,13?;13-,14+,15?;11-,12+,14?.
What are the key properties of (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-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-(8-methylquinazolin-4-yl)propan-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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1472.90 g/mol, XLogP of 8.67, 15 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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-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-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158885124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).