(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide

C137H171Cl7F11N15O11 — CID 167699893

IUPAC(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ccc(OC)nc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cncc(F)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cncc(Cl)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cncc(Cl)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1
InChIInChI=1S/C28H36ClF2N3O3.C28H36ClF2N3O2.2C27H33Cl2F2N3O2.C27H33ClF3N3O2/c1-6-24(35)19-8-7-18(23(29)14-19)13-21(34(3)4)17-32-25(36)15-22(28(11-12-28)27(2,30)31)20-9-10-26(37-5)33-16-20;1-6-25(35)20-10-9-19(24(29)14-20)13-22(34(4)5)17-33-26(36)15-23(21-8-7-18(2)32-16-21)28(11-12-28)27(3,30)31;2*1-5-24(35)18-7-6-17(23(29)12-18)11-21(34(3)4)16-33-25(36)13-22(19-10-20(28)15-32-14-19)27(8-9-27)26(2,30)31;1-5-24(35)18-7-6-17(23(28)12-18)11-21(34(3)4)16-33-25(36)13-22(19-10-20(29)15-32-14-19)27(8-9-27)26(2,30)31/h7-10,14,16,21-22H,6,11-13,15,17H2,1-5H3,(H,32,36);7-10,14,16,22-23H,6,11-13,15,17H2,1-5H3,(H,33,36);3*6-7,10,12,14-15,21-22H,5,8-9,11,13,16H2,1-4H3,(H,33,36)/t21-,22?;22-,23+;21-,22+;21-,22-;21-,22?/m00000/s1
InChIKeyYFJCNCZDDMYGAF-PNFGZVOJSA-N
MW2661.12 g/mol
LogP29.39
Rot. Bonds61

About (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide

(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide (PubChem CID 167699893) has the molecular formula C137H171Cl7F11N15O11 and a molecular weight of 2661.12 g/mol. Its IUPAC name is (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide
PubChem CID167699893
Molecular FormulaC137H171Cl7F11N15O11
Molecular Weight2661.12 g/mol
Exact Mass2656.09
IUPAC Name(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ccc(OC)nc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cncc(F)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cncc(Cl)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cncc(Cl)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1
InChIInChI=1S/C28H36ClF2N3O3.C28H36ClF2N3O2.2C27H33Cl2F2N3O2.C27H33ClF3N3O2/c1-6-24(35)19-8-7-18(23(29)14-19)13-21(34(3)4)17-32-25(36)15-22(28(11-12-28)27(2,30)31)20-9-10-26(37-5)33-16-20;1-6-25(35)20-10-9-19(24(29)14-20)13-22(34(4)5)17-33-26(36)15-23(21-8-7-18(2)32-16-21)28(11-12-28)27(3,30)31;2*1-5-24(35)18-7-6-17(23(29)12-18)11-21(34(3)4)16-33-25(36)13-22(19-10-20(28)15-32-14-19)27(8-9-27)26(2,30)31;1-5-24(35)18-7-6-17(23(28)12-18)11-21(34(3)4)16-33-25(36)13-22(19-10-20(29)15-32-14-19)27(8-9-27)26(2,30)31/h7-10,14,16,21-22H,6,11-13,15,17H2,1-5H3,(H,32,36);7-10,14,16,22-23H,6,11-13,15,17H2,1-5H3,(H,33,36);3*6-7,10,12,14-15,21-22H,5,8-9,11,13,16H2,1-4H3,(H,33,36)/t21-,22?;22-,23+;21-,22+;21-,22-;21-,22?/m00000/s1
InChIKeyYFJCNCZDDMYGAF-PNFGZVOJSA-N
XLogP29.39
TPSA320.73 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds61
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002661.12
LogP ≤ 529.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide 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

N-[(1R)-2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-cyanophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123630379
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
CID 157165887
N-[(1R)-2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-cyanophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;4-methyl-N-[2-phenyl-1,1-bis[6-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
CID 157268991
CID 158272211
CID 158272211
CID 158708725
CID 158708725
6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 158994999
5-[(2-chlorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-chlorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(2-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;bis(5-[(4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide)
CID 159020879
N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 159446430
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(3-fluoro-4-methylphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-fluoro-4-methylphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;4-(3,4-difluorophenyl)-3-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-[4-methyl-3-(trifluoromethyl)phenyl]butan-1-one
CID 159559373
[6-[2,4-Bis(trifluoromethyl)phenyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,5-dichlorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,5-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,3-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2-fluoro-3-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;2-[6-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]benzonitrile
CID 159612320
CID 159796590
CID 159796590

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide?
The IUPAC name of (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide (CID 167699893) is (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide?
The canonical SMILES for (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide is CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ccc(OC)nc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cncc(F)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cncc(Cl)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cncc(Cl)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.
What is the InChIKey of (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide?
The InChIKey is YFJCNCZDDMYGAF-PNFGZVOJSA-N. The full InChI is InChI=1S/C28H36ClF2N3O3.C28H36ClF2N3O2.2C27H33Cl2F2N3O2.C27H33ClF3N3O2/c1-6-24(35)19-8-7-18(23(29)14-19)13-21(34(3)4)17-32-25(36)15-22(28(11-12-28)27(2,30)31)20-9-10-26(37-5)33-16-20;1-6-25(35)20-10-9-19(24(29)14-20)13-22(34(4)5)17-33-26(36)15-23(21-8-7-18(2)32-16-21)28(11-12-28)27(3,30)31;2*1-5-24(35)18-7-6-17(23(29)12-18)11-21(34(3)4)16-33-25(36)13-22(19-10-20(28)15-32-14-19)27(8-9-27)26(2,30)31;1-5-24(35)18-7-6-17(23(28)12-18)11-21(34(3)4)16-33-25(36)13-22(19-10-20(29)15-32-14-19)27(8-9-27)26(2,30)31/h7-10,14,16,21-22H,6,11-13,15,17H2,1-5H3,(H,32,36);7-10,14,16,22-23H,6,11-13,15,17H2,1-5H3,(H,33,36);3*6-7,10,12,14-15,21-22H,5,8-9,11,13,16H2,1-4H3,(H,33,36)/t21-,22?;22-,23+;21-,22+;21-,22-;21-,22?/m00000/s1.
What are the key properties of (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide?
(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide has a molecular weight of 2661.12 g/mol, XLogP of 29.39, 61 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 167699893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).