(1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C80H103F2N21O6 — CID 161039292

IUPAC(1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccccn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccncn12.Cc1ccnnc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c(F)cccc21.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2cc(F)ccc21
InChIInChI=1S/2C17H21FN4O.C16H20N4O.C15H19N5O.C15H22N4O2/c1-17(2,20-16(23)14-11-7-19-8-12(11)14)15-10-6-9(18)4-5-13(10)22(3)21-15;1-17(2,20-16(23)13-9-7-19-8-10(9)13)15-14-11(18)5-4-6-12(14)22(3)21-15;1-16(2,15-18-7-10-5-3-4-6-20(10)15)19-14(21)13-11-8-17-9-12(11)13;1-15(2,14-18-5-9-3-4-16-8-20(9)14)19-13(21)12-10-6-17-7-11(10)12;1-9-4-5-17-19-14(9)21-8-15(2,3)18-13(20)12-10-6-16-7-11(10)12/h4-6,11-12,14,19H,7-8H2,1-3H3,(H,20,23);4-6,9-10,13,19H,7-8H2,1-3H3,(H,20,23);3-7,11-13,17H,8-9H2,1-2H3,(H,19,21);3-5,8,10-12,17H,6-7H2,1-2H3,(H,19,21);4-5,10-12,16H,6-8H2,1-3H3,(H,18,20)/t11-,12+,14?;9-,10+,13?;11-,12+,13?;2*10-,11+,12?
InChIKeyUARCDUONKVTWEF-KYDJMJNRSA-N
MW1492.84 g/mol
LogP5.28
Rot. Bonds17

About (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 161039292) has the molecular formula C80H103F2N21O6 and a molecular weight of 1492.84 g/mol. Its IUPAC name is (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID161039292
Molecular FormulaC80H103F2N21O6
Molecular Weight1492.84 g/mol
Exact Mass1491.84
IUPAC Name(1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccccn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccncn12.Cc1ccnnc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c(F)cccc21.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2cc(F)ccc21
InChIInChI=1S/2C17H21FN4O.C16H20N4O.C15H19N5O.C15H22N4O2/c1-17(2,20-16(23)14-11-7-19-8-12(11)14)15-10-6-9(18)4-5-13(10)22(3)21-15;1-17(2,20-16(23)13-9-7-19-8-10(9)13)15-14-11(18)5-4-6-12(14)22(3)21-15;1-16(2,15-18-7-10-5-3-4-6-20(10)15)19-14(21)13-11-8-17-9-12(11)13;1-15(2,14-18-5-9-3-4-16-8-20(9)14)19-13(21)12-10-6-17-7-11(10)12;1-9-4-5-17-19-14(9)21-8-15(2,3)18-13(20)12-10-6-16-7-11(10)12/h4-6,11-12,14,19H,7-8H2,1-3H3,(H,20,23);4-6,9-10,13,19H,7-8H2,1-3H3,(H,20,23);3-7,11-13,17H,8-9H2,1-2H3,(H,19,21);3-5,8,10-12,17H,6-7H2,1-2H3,(H,19,21);4-5,10-12,16H,6-8H2,1-3H3,(H,18,20)/t11-,12+,14?;9-,10+,13?;11-,12+,13?;2*10-,11+,12?
InChIKeyUARCDUONKVTWEF-KYDJMJNRSA-N
XLogP5.28
TPSA323.79 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001492.84
LogP ≤ 55.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157121825
CID 157209221
CID 157209221
(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-quinolin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157212204
Tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
CID 157237824
3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-phenylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 157242551
N-[2-[[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide;N-[3-[[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]-2-methylpropanamide;N-[3-[[5-[3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]cyclopropanecarboxamide;N-[3-[[5-[3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]cyclopropanecarboxamide
CID 157597360
5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-N-methylpyrimidin-2-amine;5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(trifluoromethyl)pyridin-2-amine;5-[6,6-dimethyl-4-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 157630411
(4R)-4-[(1R)-1-(3-cyclopropyl-6-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;7-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157895692
(1S,5R)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158274742
(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158513087
(1S,5R)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158599699
methane;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-[1-(methylamino)ethenyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-5-phenylmethoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 158846244

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 161039292) is (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccccn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccncn12.Cc1ccnnc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c(F)cccc21.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2cc(F)ccc21.
What is the InChIKey of (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is UARCDUONKVTWEF-KYDJMJNRSA-N. The full InChI is InChI=1S/2C17H21FN4O.C16H20N4O.C15H19N5O.C15H22N4O2/c1-17(2,20-16(23)14-11-7-19-8-12(11)14)15-10-6-9(18)4-5-13(10)22(3)21-15;1-17(2,20-16(23)13-9-7-19-8-10(9)13)15-14-11(18)5-4-6-12(14)22(3)21-15;1-16(2,15-18-7-10-5-3-4-6-20(10)15)19-14(21)13-11-8-17-9-12(11)13;1-15(2,14-18-5-9-3-4-16-8-20(9)14)19-13(21)12-10-6-17-7-11(10)12;1-9-4-5-17-19-14(9)21-8-15(2,3)18-13(20)12-10-6-16-7-11(10)12/h4-6,11-12,14,19H,7-8H2,1-3H3,(H,20,23);4-6,9-10,13,19H,7-8H2,1-3H3,(H,20,23);3-7,11-13,17H,8-9H2,1-2H3,(H,19,21);3-5,8,10-12,17H,6-7H2,1-2H3,(H,19,21);4-5,10-12,16H,6-8H2,1-3H3,(H,18,20)/t11-,12+,14?;9-,10+,13?;11-,12+,13?;2*10-,11+,12?.
What are the key properties of (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1492.84 g/mol, XLogP of 5.28, 17 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 161039292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).