(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C100H130ClF6N19O12 — CID 161052157

IUPAC(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1cnc(Cl)c2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cncc2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ncccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1nnccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cn1nccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C19H22ClN3O2.C19H23N3O2.C17H24N2O2.C16H20F3N3O2.C15H19F3N4O2.C14H22N4O2/c1-19(2,23-18(24)16-13-7-21-8-14(13)16)10-25-15-9-22-17(20)12-6-4-3-5-11(12)15;1-19(2,22-18(23)17-14-8-21-9-15(14)17)11-24-16-10-20-7-12-5-3-4-6-13(12)16;1-11-6-4-5-7-14(11)21-10-17(2,3)19-16(20)15-12-8-18-9-13(12)15;1-15(2,22-13(23)12-9-6-20-7-10(9)12)8-24-14-11(16(17,18)19)4-3-5-21-14;1-14(2,21-12(23)11-8-5-19-6-9(8)11)7-24-13-10(15(16,17)18)3-4-20-22-13;1-14(2,8-20-11-4-5-16-18(11)3)17-13(19)12-9-6-15-7-10(9)12/h3-6,9,13-14,16,21H,7-8,10H2,1-2H3,(H,23,24);3-7,10,14-15,17,21H,8-9,11H2,1-2H3,(H,22,23);4-7,12-13,15,18H,8-10H2,1-3H3,(H,19,20);3-5,9-10,12,20H,6-8H2,1-2H3,(H,22,23);3-4,8-9,11,19H,5-7H2,1-2H3,(H,21,23);4-5,9-10,12,15H,6-8H2,1-3H3,(H,17,19)/t13-,14+,16?;14-,15+,17?;12-,13+,15?;9-,10+,12?;8-,9+,11?;9-,10+,12?
InChIKeyUCGXCXDDARZCBS-FNUHFWGNSA-N
MW1939.70 g/mol
LogP9.57
Rot. Bonds30

About (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 161052157) has the molecular formula C100H130ClF6N19O12 and a molecular weight of 1939.70 g/mol. Its IUPAC name is (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID161052157
Molecular FormulaC100H130ClF6N19O12
Molecular Weight1939.70 g/mol
Exact Mass1937.97
IUPAC Name(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1cnc(Cl)c2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cncc2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ncccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1nnccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cn1nccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C19H22ClN3O2.C19H23N3O2.C17H24N2O2.C16H20F3N3O2.C15H19F3N4O2.C14H22N4O2/c1-19(2,23-18(24)16-13-7-21-8-14(13)16)10-25-15-9-22-17(20)12-6-4-3-5-11(12)15;1-19(2,22-18(23)17-14-8-21-9-15(14)17)11-24-16-10-20-7-12-5-3-4-6-13(12)16;1-11-6-4-5-7-14(11)21-10-17(2,3)19-16(20)15-12-8-18-9-13(12)15;1-15(2,22-13(23)12-9-6-20-7-10(9)12)8-24-14-11(16(17,18)19)4-3-5-21-14;1-14(2,21-12(23)11-8-5-19-6-9(8)11)7-24-13-10(15(16,17)18)3-4-20-22-13;1-14(2,8-20-11-4-5-16-18(11)3)17-13(19)12-9-6-15-7-10(9)12/h3-6,9,13-14,16,21H,7-8,10H2,1-2H3,(H,23,24);3-7,10,14-15,17,21H,8-9,11H2,1-2H3,(H,22,23);4-7,12-13,15,18H,8-10H2,1-3H3,(H,19,20);3-5,9-10,12,20H,6-8H2,1-2H3,(H,22,23);3-4,8-9,11,19H,5-7H2,1-2H3,(H,21,23);4-5,9-10,12,15H,6-8H2,1-3H3,(H,17,19)/t13-,14+,16?;14-,15+,17?;12-,13+,15?;9-,10+,12?;8-,9+,11?;9-,10+,12?
InChIKeyUCGXCXDDARZCBS-FNUHFWGNSA-N
XLogP9.57
TPSA384.43 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.70
LogP ≤ 59.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(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
(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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-quinolin-4-yloxypropan-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;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157864826
(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158550572
(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161258082
(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-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-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-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;(1R,5S)-N-(2-quinolin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161440949

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 161052157) is (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(COc1cnc(Cl)c2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cncc2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ncccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1nnccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cn1nccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is UCGXCXDDARZCBS-FNUHFWGNSA-N. The full InChI is InChI=1S/C19H22ClN3O2.C19H23N3O2.C17H24N2O2.C16H20F3N3O2.C15H19F3N4O2.C14H22N4O2/c1-19(2,23-18(24)16-13-7-21-8-14(13)16)10-25-15-9-22-17(20)12-6-4-3-5-11(12)15;1-19(2,22-18(23)17-14-8-21-9-15(14)17)11-24-16-10-20-7-12-5-3-4-6-13(12)16;1-11-6-4-5-7-14(11)21-10-17(2,3)19-16(20)15-12-8-18-9-13(12)15;1-15(2,22-13(23)12-9-6-20-7-10(9)12)8-24-14-11(16(17,18)19)4-3-5-21-14;1-14(2,21-12(23)11-8-5-19-6-9(8)11)7-24-13-10(15(16,17)18)3-4-20-22-13;1-14(2,8-20-11-4-5-16-18(11)3)17-13(19)12-9-6-15-7-10(9)12/h3-6,9,13-14,16,21H,7-8,10H2,1-2H3,(H,23,24);3-7,10,14-15,17,21H,8-9,11H2,1-2H3,(H,22,23);4-7,12-13,15,18H,8-10H2,1-3H3,(H,19,20);3-5,9-10,12,20H,6-8H2,1-2H3,(H,22,23);3-4,8-9,11,19H,5-7H2,1-2H3,(H,21,23);4-5,9-10,12,15H,6-8H2,1-3H3,(H,17,19)/t13-,14+,16?;14-,15+,17?;12-,13+,15?;9-,10+,12?;8-,9+,11?;9-,10+,12?.
What are the key properties of (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1939.70 g/mol, XLogP of 9.57, 30 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 161052157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).