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

C109H136Cl4F10N12O9 — CID 167553439

IUPACN-[(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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cc(C)ccn2)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(OC)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ncccc2F)C2(C(F)(F)F)CC2)N(C)C)c(Cl)c1
InChIInChI=1S/C28H36ClF2N3O3.C28H36ClF2N3O2.C27H34ClF2N3O2.C26H30ClF4N3O2/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;1-6-25(35)20-8-7-19(23(29)15-20)14-21(34(4)5)17-33-26(36)16-22(24-13-18(2)9-12-32-24)28(10-11-28)27(3,30)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;1-4-22(35)17-8-7-16(20(27)13-17)12-18(34(2)3)15-33-23(36)14-19(24-21(28)6-5-11-32-24)25(9-10-25)26(29,30)31/h7-8,12-13,15,17,21,23H,6,9-11,14,16H2,1-5H3,(H,33,36);7-9,12-13,15,21-22H,6,10-11,14,16-17H2,1-5H3,(H,33,36);6-9,12,14,16,21-22H,5,10-11,13,15,17H2,1-4H3,(H,32,35);5-8,11,13,18-19H,4,9-10,12,14-15H2,1-3H3,(H,33,36)/t21-,23?;2*21-,22?;18-,19?/m0000/s1
InChIKeyCRXFDPYFDCNASQ-YDDADZLISA-N
MW2090.15 g/mol
LogP22.47
Rot. Bonds48

About 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 167553439) has the molecular formula C109H136Cl4F10N12O9 and a molecular weight of 2090.15 g/mol. Its IUPAC name is 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-[(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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID167553439
Molecular FormulaC109H136Cl4F10N12O9
Molecular Weight2090.15 g/mol
Exact Mass2086.91
IUPAC NameN-[(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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cc(C)ccn2)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(OC)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ncccc2F)C2(C(F)(F)F)CC2)N(C)C)c(Cl)c1
InChIInChI=1S/C28H36ClF2N3O3.C28H36ClF2N3O2.C27H34ClF2N3O2.C26H30ClF4N3O2/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;1-6-25(35)20-8-7-19(23(29)15-20)14-21(34(4)5)17-33-26(36)16-22(24-13-18(2)9-12-32-24)28(10-11-28)27(3,30)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;1-4-22(35)17-8-7-16(20(27)13-17)12-18(34(2)3)15-33-23(36)14-19(24-21(28)6-5-11-32-24)25(9-10-25)26(29,30)31/h7-8,12-13,15,17,21,23H,6,9-11,14,16H2,1-5H3,(H,33,36);7-9,12-13,15,21-22H,6,10-11,14,16-17H2,1-5H3,(H,33,36);6-9,12,14,16,21-22H,5,10-11,13,15,17H2,1-4H3,(H,32,35);5-8,11,13,18-19H,4,9-10,12,14-15H2,1-3H3,(H,33,36)/t21-,23?;2*21-,22?;18-,19?/m0000/s1
InChIKeyCRXFDPYFDCNASQ-YDDADZLISA-N
XLogP22.47
TPSA258.43 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds48
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002090.15
LogP ≤ 522.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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

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Related Compounds

3-chloro-4-((2S)-2-(dimethylamino)-3-(3-(5-methoxypyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl) propanamido)propyl)-N-methylbenzamide
CID 165404942
[4-[5-[2-Tert-butyl-5-[1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethoxy]-4-pyridinyl]-4-fluoro-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 156077591
(4S)-6-chloro-4-cyclopropyl-3-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H-quinazolin-2-one;6-chloro-3,4-diethyl-4-phenyl-1H-quinazolin-2-one;1-(3-chloro-5-methylphenyl)-3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]propan-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pentan-1-one;(4S)-1-(4-cyclopropylphenyl)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]pentan-2-one;(4S)-4-[5-(2,2-difluoropropoxy)-2-pyridinyl]-1-[4-(3-methylpyrazin-2-yl)phenyl]pentan-2-one;N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]acetamide
CID 157268179
N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157568675
bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158716188
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
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
CID 160222647
CID 160222647
bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);bis(N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide)
CID 160357332
bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160577431

Frequently Asked Questions

What is the IUPAC name of 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 167553439) is 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide is CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2cc(C)ccn2)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(OC)c2)C2(C(C)(F)F)CC2)N(C)C)c(Cl)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ncccc2F)C2(C(F)(F)F)CC2)N(C)C)c(Cl)c1.
What is the InChIKey of 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is CRXFDPYFDCNASQ-YDDADZLISA-N. The full InChI is InChI=1S/C28H36ClF2N3O3.C28H36ClF2N3O2.C27H34ClF2N3O2.C26H30ClF4N3O2/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;1-6-25(35)20-8-7-19(23(29)15-20)14-21(34(4)5)17-33-26(36)16-22(24-13-18(2)9-12-32-24)28(10-11-28)27(3,30)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;1-4-22(35)17-8-7-16(20(27)13-17)12-18(34(2)3)15-33-23(36)14-19(24-21(28)6-5-11-32-24)25(9-10-25)26(29,30)31/h7-8,12-13,15,17,21,23H,6,9-11,14,16H2,1-5H3,(H,33,36);7-9,12-13,15,21-22H,6,10-11,14,16-17H2,1-5H3,(H,33,36);6-9,12,14,16,21-22H,5,10-11,13,15,17H2,1-4H3,(H,32,35);5-8,11,13,18-19H,4,9-10,12,14-15H2,1-3H3,(H,33,36)/t21-,23?;2*21-,22?;18-,19?/m0000/s1.
What are the key properties of 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 2090.15 g/mol, XLogP of 22.47, 48 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 167553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).