(1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C168H210ClN37O10S — CID 160717404

IUPAC(1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1c(Cl)nc2sccn12.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)c1ccn2ccnc2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cn2ccccc2n1.Cc1cc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccn12.Cc1cc2cccnc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2nccn12.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2ccnc12.Cc1ncc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc12
InChIInChI=1S/C19H23N3O.C18H22N4O.C18H23N3O.2C17H22N4O.C17H21N3O.3C16H20N4O.C14H17ClN4OS/c1-11-12-6-4-5-7-13(12)16(10-21-11)19(2,3)22-18(23)17-14-8-20-9-15(14)17;1-10-7-11-5-4-6-20-15(11)16(21-10)18(2,3)22-17(23)14-12-8-19-9-13(12)14;1-11-8-14(15-6-4-5-7-21(11)15)18(2,3)20-17(22)16-12-9-19-10-13(12)16;1-10-4-5-13(15-19-6-7-21(10)15)17(2,3)20-16(22)14-11-8-18-9-12(11)14;1-10-4-5-13(21-7-6-19-15(10)21)17(2,3)20-16(22)14-11-8-18-9-12(11)14;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(2,10-3-5-20-6-4-18-13(20)7-10)19-15(21)14-11-8-17-9-12(11)14;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;1-16(2,12-9-20-6-4-3-5-13(20)18-12)19-15(21)14-10-7-17-8-11(10)14;1-14(2,10-11(15)17-13-19(10)3-4-21-13)18-12(20)9-7-5-16-6-8(7)9/h4-7,10,14-15,17,20H,8-9H2,1-3H3,(H,22,23);4-7,12-14,19H,8-9H2,1-3H3,(H,22,23);4-8,12-13,16,19H,9-10H2,1-3H3,(H,20,22);2*4-7,11-12,14,18H,8-9H2,1-3H3,(H,20,22);3-7,10,13-15,18H,8-9H2,1-2H3,(H,19,21);3-7,11-12,14,17H,8-9H2,1-2H3,(H,19,21);3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,19,21);3-6,9-11,14,17H,7-8H2,1-2H3,(H,19,21);3-4,7-9,16H,5-6H2,1-2H3,(H,18,20)/t14-,15+,17?;12-,13+,14?;12-,13+,16?;2*11-,12+,14?;13-,14+,15?;2*11-,12+,14?;10-,11+,14?;7-,8+,9?
InChIKeyRSQQTRCOCQJLCD-BLQNBQHNSA-N
MW2975.30 g/mol
LogP16.17
Rot. Bonds30

About (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 160717404) has the molecular formula C168H210ClN37O10S and a molecular weight of 2975.30 g/mol. Its IUPAC name is (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID160717404
Molecular FormulaC168H210ClN37O10S
Molecular Weight2975.30 g/mol
Exact Mass2972.65
IUPAC Name(1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1c(Cl)nc2sccn12.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)c1ccn2ccnc2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cn2ccccc2n1.Cc1cc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccn12.Cc1cc2cccnc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2nccn12.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2ccnc12.Cc1ncc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc12
InChIInChI=1S/C19H23N3O.C18H22N4O.C18H23N3O.2C17H22N4O.C17H21N3O.3C16H20N4O.C14H17ClN4OS/c1-11-12-6-4-5-7-13(12)16(10-21-11)19(2,3)22-18(23)17-14-8-20-9-15(14)17;1-10-7-11-5-4-6-20-15(11)16(21-10)18(2,3)22-17(23)14-12-8-19-9-13(12)14;1-11-8-14(15-6-4-5-7-21(11)15)18(2,3)20-17(22)16-12-9-19-10-13(12)16;1-10-4-5-13(15-19-6-7-21(10)15)17(2,3)20-16(22)14-11-8-18-9-12(11)14;1-10-4-5-13(21-7-6-19-15(10)21)17(2,3)20-16(22)14-11-8-18-9-12(11)14;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(2,10-3-5-20-6-4-18-13(20)7-10)19-15(21)14-11-8-17-9-12(11)14;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;1-16(2,12-9-20-6-4-3-5-13(20)18-12)19-15(21)14-10-7-17-8-11(10)14;1-14(2,10-11(15)17-13-19(10)3-4-21-13)18-12(20)9-7-5-16-6-8(7)9/h4-7,10,14-15,17,20H,8-9H2,1-3H3,(H,22,23);4-7,12-14,19H,8-9H2,1-3H3,(H,22,23);4-8,12-13,16,19H,9-10H2,1-3H3,(H,20,22);2*4-7,11-12,14,18H,8-9H2,1-3H3,(H,20,22);3-7,10,13-15,18H,8-9H2,1-2H3,(H,19,21);3-7,11-12,14,17H,8-9H2,1-2H3,(H,19,21);3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,19,21);3-6,9-11,14,17H,7-8H2,1-2H3,(H,19,21);3-4,7-9,16H,5-6H2,1-2H3,(H,18,20)/t14-,15+,17?;12-,13+,14?;12-,13+,16?;2*11-,12+,14?;13-,14+,15?;2*11-,12+,14?;10-,11+,14?;7-,8+,9?
InChIKeyRSQQTRCOCQJLCD-BLQNBQHNSA-N
XLogP16.17
TPSA562.59 Ų
H-Bond Donors20
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002975.30
LogP ≤ 516.17
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1038

Analyze (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 160717404) is (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1c(Cl)nc2sccn12.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)c1ccn2ccnc2c1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cn2ccccc2n1.Cc1cc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccn12.Cc1cc2cccnc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2nccn12.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2ccnc12.Cc1ncc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc12.
What is the InChIKey of (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is RSQQTRCOCQJLCD-BLQNBQHNSA-N. The full InChI is InChI=1S/C19H23N3O.C18H22N4O.C18H23N3O.2C17H22N4O.C17H21N3O.3C16H20N4O.C14H17ClN4OS/c1-11-12-6-4-5-7-13(12)16(10-21-11)19(2,3)22-18(23)17-14-8-20-9-15(14)17;1-10-7-11-5-4-6-20-15(11)16(21-10)18(2,3)22-17(23)14-12-8-19-9-13(12)14;1-11-8-14(15-6-4-5-7-21(11)15)18(2,3)20-17(22)16-12-9-19-10-13(12)16;1-10-4-5-13(15-19-6-7-21(10)15)17(2,3)20-16(22)14-11-8-18-9-12(11)14;1-10-4-5-13(21-7-6-19-15(10)21)17(2,3)20-16(22)14-11-8-18-9-12(11)14;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(2,10-3-5-20-6-4-18-13(20)7-10)19-15(21)14-11-8-17-9-12(11)14;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;1-16(2,12-9-20-6-4-3-5-13(20)18-12)19-15(21)14-10-7-17-8-11(10)14;1-14(2,10-11(15)17-13-19(10)3-4-21-13)18-12(20)9-7-5-16-6-8(7)9/h4-7,10,14-15,17,20H,8-9H2,1-3H3,(H,22,23);4-7,12-14,19H,8-9H2,1-3H3,(H,22,23);4-8,12-13,16,19H,9-10H2,1-3H3,(H,20,22);2*4-7,11-12,14,18H,8-9H2,1-3H3,(H,20,22);3-7,10,13-15,18H,8-9H2,1-2H3,(H,19,21);3-7,11-12,14,17H,8-9H2,1-2H3,(H,19,21);3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,19,21);3-6,9-11,14,17H,7-8H2,1-2H3,(H,19,21);3-4,7-9,16H,5-6H2,1-2H3,(H,18,20)/t14-,15+,17?;12-,13+,14?;12-,13+,16?;2*11-,12+,14?;13-,14+,15?;2*11-,12+,14?;10-,11+,14?;7-,8+,9?.
What are the key properties of (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 2975.30 g/mol, XLogP of 16.17, 30 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,2-a]pyridin-7-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-methylimidazo[1,2-a]pyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 160717404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).