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

C165H208Cl7F13N18O14 — CID 167665247

IUPAC(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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
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(c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cncc(C)c2)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)CC(c2cncc(OC)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
InChIInChI=1S/2C28H36ClF2N3O3.C28H36ClF2N3O2.C27H33Cl2F2N3O2.C27H33ClF3N3O2.C27H34ClF2N3O2/c1-6-25(35)19-8-7-18(24(29)13-19)11-21(34(3)4)16-33-26(36)14-23(28(9-10-28)27(2,30)31)20-12-22(37-5)17-32-15-20;1-6-24(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)20-8-7-19(24(29)13-20)12-22(34(4)5)17-33-26(36)14-23(21-11-18(2)15-32-16-21)28(9-10-28)27(3,30)31;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;1-5-24(34)19-9-8-18(23(28)14-19)13-21(33(3)4)17-32-25(35)15-22(20-7-6-12-31-16-20)27(10-11-27)26(2,29)30/h7-8,12-13,15,17,21,23H,6,9-11,14,16H2,1-5H3,(H,33,36);7-10,14,16,21-22H,6,11-13,15,17H2,1-5H3,(H,32,36);7-8,11,13,15-16,22-23H,6,9-10,12,14,17H2,1-5H3,(H,33,36);2*6-7,10,12,14-15,21-22H,5,8-9,11,13,16H2,1-4H3,(H,33,36);6-9,12,14,16,21-22H,5,10-11,13,15,17H2,1-4H3,(H,32,35)/t21-,23?;21-,22?;22-,23?;21-,22+;2*21-,22?/m000000/s1
InChIKeySNRHIGFZXLGYPT-PHKBEBBXSA-N
MW3162.74 g/mol
LogP34.27
Rot. Bonds74

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

(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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide (PubChem CID 167665247) has the molecular formula C165H208Cl7F13N18O14 and a molecular weight of 3162.74 g/mol. Its IUPAC name is (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
PubChem CID167665247
Molecular FormulaC165H208Cl7F13N18O14
Molecular Weight3162.74 g/mol
Exact Mass3157.37
IUPAC Name(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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
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(c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cncc(C)c2)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)CC(c2cncc(OC)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
InChIInChI=1S/2C28H36ClF2N3O3.C28H36ClF2N3O2.C27H33Cl2F2N3O2.C27H33ClF3N3O2.C27H34ClF2N3O2/c1-6-25(35)19-8-7-18(24(29)13-19)11-21(34(3)4)16-33-26(36)14-23(28(9-10-28)27(2,30)31)20-12-22(37-5)17-32-15-20;1-6-24(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)20-8-7-19(24(29)13-20)12-22(34(4)5)17-33-26(36)14-23(21-11-18(2)15-32-16-21)28(9-10-28)27(3,30)31;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;1-5-24(34)19-9-8-18(23(28)14-19)13-21(33(3)4)17-32-25(35)15-22(20-7-6-12-31-16-20)27(10-11-27)26(2,29)30/h7-8,12-13,15,17,21,23H,6,9-11,14,16H2,1-5H3,(H,33,36);7-10,14,16,21-22H,6,11-13,15,17H2,1-5H3,(H,32,36);7-8,11,13,15-16,22-23H,6,9-10,12,14,17H2,1-5H3,(H,33,36);2*6-7,10,12,14-15,21-22H,5,8-9,11,13,16H2,1-4H3,(H,33,36);6-9,12,14,16,21-22H,5,10-11,13,15,17H2,1-4H3,(H,32,35)/t21-,23?;21-,22?;22-,23?;21-,22+;2*21-,22?/m000000/s1
InChIKeySNRHIGFZXLGYPT-PHKBEBBXSA-N
XLogP34.27
TPSA392.26 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds74
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003162.74
LogP ≤ 534.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-4-((2S)-2-(dimethylamino)-3-(3-(5-methoxypyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl) propanamido)propyl)-N-methylbenzamide
CID 165404942
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
6-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;6-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide
CID 158799306
6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 158886903
CID 159796590
CID 159796590
CID 160222647
CID 160222647
[3-Chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 160964852
[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 160998907
6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane
CID 161427242
3-chloro-N-[[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]methyl]-5-methylbenzamide;2-(4-cyclopropylphenyl)-N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]acetamide;N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-[4-(3-methylpyrazin-2-yl)phenyl]acetamide
CID 161566160
5-tert-butyl-4-chloroisoquinoline;5-tert-butyl-4-(difluoromethyl)isoquinoline;5-tert-butyl-4-fluoroisoquinoline;5-tert-butylisoquinoline;5-tert-butyl-4-methoxyisoquinoline;5-tert-butyl-4-methylisoquinoline;5-tert-butyl-4-methyl-2H-isoquinolin-1-one;5-tert-butyl-4-(trifluoromethyl)isoquinoline
CID 162242207
3-[4-[4-[2-[4-[[2-Chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[4-[4-[2-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 165081786

Frequently Asked Questions

What is the IUPAC name of (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide (CID 167665247) is (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide 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(c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cncc(C)c2)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)CC(c2cncc(OC)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.
What is the InChIKey of (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?
The InChIKey is SNRHIGFZXLGYPT-PHKBEBBXSA-N. The full InChI is InChI=1S/2C28H36ClF2N3O3.C28H36ClF2N3O2.C27H33Cl2F2N3O2.C27H33ClF3N3O2.C27H34ClF2N3O2/c1-6-25(35)19-8-7-18(24(29)13-19)11-21(34(3)4)16-33-26(36)14-23(28(9-10-28)27(2,30)31)20-12-22(37-5)17-32-15-20;1-6-24(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)20-8-7-19(24(29)13-20)12-22(34(4)5)17-33-26(36)14-23(21-11-18(2)15-32-16-21)28(9-10-28)27(3,30)31;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;1-5-24(34)19-9-8-18(23(28)14-19)13-21(33(3)4)17-32-25(35)15-22(20-7-6-12-31-16-20)27(10-11-27)26(2,29)30/h7-8,12-13,15,17,21,23H,6,9-11,14,16H2,1-5H3,(H,33,36);7-10,14,16,21-22H,6,11-13,15,17H2,1-5H3,(H,32,36);7-8,11,13,15-16,22-23H,6,9-10,12,14,17H2,1-5H3,(H,33,36);2*6-7,10,12,14-15,21-22H,5,8-9,11,13,16H2,1-4H3,(H,33,36);6-9,12,14,16,21-22H,5,10-11,13,15,17H2,1-4H3,(H,32,35)/t21-,23?;21-,22?;22-,23?;21-,22+;2*21-,22?/m000000/s1.
What are the key properties of (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?
(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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide has a molecular weight of 3162.74 g/mol, XLogP of 34.27, 74 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (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-(5-methoxy-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;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 167665247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).