(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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

C123H155ClF3N19O10 — CID 159610154

IUPAC(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncccc1C(F)(F)F.Cc1cc(C#N)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Cl)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccc(C)c1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C19H23N3O.C18H23N3O2.2C18H21N3O.C18H26N2O2.C17H23ClN2O2.C15H18F3N3O/c1-11-8-12-6-4-5-7-13(12)17(21-11)19(2,3)22-18(23)16-14-9-20-10-15(14)16;1-11-6-12(7-19)4-5-15(11)23-10-18(2,3)21-17(22)16-13-8-20-9-14(13)16;2*1-18(2,21-17(22)16-12-9-19-10-13(12)16)14-7-8-20-15-6-4-3-5-11(14)15;1-11-6-5-7-12(2)16(11)22-10-18(3,4)20-17(21)15-13-8-19-9-14(13)15;1-10-6-11(18)4-5-14(10)22-9-17(2,3)20-16(21)15-12-7-19-8-13(12)15;1-14(2,12-10(15(16,17)18)4-3-5-20-12)21-13(22)11-8-6-19-7-9(8)11/h4-8,14-16,20H,9-10H2,1-3H3,(H,22,23);4-6,13-14,16,20H,8-10H2,1-3H3,(H,21,22);2*3-8,12-13,16,19H,9-10H2,1-2H3,(H,21,22);5-7,13-15,19H,8-10H2,1-4H3,(H,20,21);4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);3-5,8-9,11,19H,6-7H2,1-2H3,(H,21,22)/t14-,15+,16?;13-,14+,16?;2*12-,13+,16?;13-,14+,15?;12-,13+,15?;8-,9+,11?
InChIKeyMMOZCSBPXGHXLC-VQTCDASISA-N
MW2152.16 g/mol
LogP14.42
Rot. Bonds27

About (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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

(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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 (PubChem CID 159610154) has the molecular formula C123H155ClF3N19O10 and a molecular weight of 2152.16 g/mol. Its IUPAC name is (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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.

Molecular Properties

Compound Name(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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
PubChem CID159610154
Molecular FormulaC123H155ClF3N19O10
Molecular Weight2152.16 g/mol
Exact Mass2150.18
IUPAC Name(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncccc1C(F)(F)F.Cc1cc(C#N)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Cl)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccc(C)c1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C19H23N3O.C18H23N3O2.2C18H21N3O.C18H26N2O2.C17H23ClN2O2.C15H18F3N3O/c1-11-8-12-6-4-5-7-13(12)17(21-11)19(2,3)22-18(23)16-14-9-20-10-15(14)16;1-11-6-12(7-19)4-5-15(11)23-10-18(2,3)21-17(22)16-13-8-20-9-14(13)16;2*1-18(2,21-17(22)16-12-9-19-10-13(12)16)14-7-8-20-15-6-4-3-5-11(14)15;1-11-6-5-7-12(2)16(11)22-10-18(3,4)20-17(21)15-13-8-19-9-14(13)15;1-10-6-11(18)4-5-14(10)22-9-17(2,3)20-16(21)15-12-7-19-8-13(12)15;1-14(2,12-10(15(16,17)18)4-3-5-20-12)21-13(22)11-8-6-19-7-9(8)11/h4-8,14-16,20H,9-10H2,1-3H3,(H,22,23);4-6,13-14,16,20H,8-10H2,1-3H3,(H,21,22);2*3-8,12-13,16,19H,9-10H2,1-2H3,(H,21,22);5-7,13-15,19H,8-10H2,1-4H3,(H,20,21);4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);3-5,8-9,11,19H,6-7H2,1-2H3,(H,21,22)/t14-,15+,16?;13-,14+,16?;2*12-,13+,16?;13-,14+,15?;12-,13+,15?;8-,9+,11?
InChIKeyMMOZCSBPXGHXLC-VQTCDASISA-N
XLogP14.42
TPSA390.95 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002152.16
LogP ≤ 514.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Analyze (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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 with MolForge

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Related Compounds

(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-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-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157164009
(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
(1R,5S)-N-[2-(1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(1-isoquinolin-1-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(1-isoquinolin-4-yloxy-2-methylpropan-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-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160299343
(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-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-quinolin-4-ylpropan-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 161547088
(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-methyl-4-naphthalen-2-ylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158838839

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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?
The IUPAC name of (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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 159610154) is (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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.
What is the SMILES notation for (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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?
The canonical SMILES for (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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 is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncccc1C(F)(F)F.Cc1cc(C#N)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Cl)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccc(C)c1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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?
The InChIKey is MMOZCSBPXGHXLC-VQTCDASISA-N. The full InChI is InChI=1S/C19H23N3O.C18H23N3O2.2C18H21N3O.C18H26N2O2.C17H23ClN2O2.C15H18F3N3O/c1-11-8-12-6-4-5-7-13(12)17(21-11)19(2,3)22-18(23)16-14-9-20-10-15(14)16;1-11-6-12(7-19)4-5-15(11)23-10-18(2,3)21-17(22)16-13-8-20-9-14(13)16;2*1-18(2,21-17(22)16-12-9-19-10-13(12)16)14-7-8-20-15-6-4-3-5-11(14)15;1-11-6-5-7-12(2)16(11)22-10-18(3,4)20-17(21)15-13-8-19-9-14(13)15;1-10-6-11(18)4-5-14(10)22-9-17(2,3)20-16(21)15-12-7-19-8-13(12)15;1-14(2,12-10(15(16,17)18)4-3-5-20-12)21-13(22)11-8-6-19-7-9(8)11/h4-8,14-16,20H,9-10H2,1-3H3,(H,22,23);4-6,13-14,16,20H,8-10H2,1-3H3,(H,21,22);2*3-8,12-13,16,19H,9-10H2,1-2H3,(H,21,22);5-7,13-15,19H,8-10H2,1-4H3,(H,20,21);4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);3-5,8-9,11,19H,6-7H2,1-2H3,(H,21,22)/t14-,15+,16?;13-,14+,16?;2*12-,13+,16?;13-,14+,15?;12-,13+,15?;8-,9+,11?.
What are the key properties of (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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?
(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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 has a molecular weight of 2152.16 g/mol, XLogP of 14.42, 27 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-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;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-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 is sourced from PubChem (CID 159610154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).