(4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide

C97H116ClF6N11O9 — CID 158126351

About (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide

(4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide (PubChem CID 158126351) has the molecular formula C97H116ClF6N11O9 and a molecular weight of 1729.50 g/mol. Its IUPAC name is (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide
• PubChem CID: 158126351
• Molecular Formula: C97H116ClF6N11O9
• Molecular Weight: 1729.50 g/mol
• Exact Mass: 1727.86
• IUPAC Name: (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide
• SMILES: CC(=O)C[C@H](CC(=O)[C@H](CC(C)C)n1ccc(CCN(C)CC(F)(F)F)cc1=O)c1ccnc(-c2c(C)cccc2Cl)c1.CC(=O)C[C@H](NC(=O)C(c1ccccc1)N1CC(N(C)C)CCC1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN(C)CC(F)F)ccc1=O)c1cncc(-c2c(C)cccc2F)c1
• InChI: InChI=1S/C33H39ClF3N3O3.C32H39F3N4O3.C32H38N4O3/c1-21(2)15-29(40-14-11-24(17-31(40)43)10-13-39(5)20-33(35,36)37)30(42)19-26(16-23(4)41)25-9-12-38-28(18-25)32-22(3)7-6-8-27(32)34;1-20(2)13-28(39-18-23(9-10-30(39)41)11-12-38(5)19-29(34)35)32(42)37-27(14-22(4)40)24-15-25(17-36-16-24)31-21(3)7-6-8-26(31)33;1-21-10-9-11-22(2)30(21)26-17-25(18-33-19-26)28(16-23(3)37)34-32(39)31(24-12-7-6-8-13-24)36-20-27(35(4)5)14-15-29(36)38/h6-9,11-12,14,17-18,21,26,29H,10,13,15-16,19-20H2,1-5H3;6-10,15-18,20,27-29H,11-14,19H2,1-5H3,(H,37,42);6-13,17-19,27-28,31H,14-16,20H2,1-5H3,(H,34,39)/t26-,29+;27-,28-;27?,28-,31?/m100/s1
• InChIKey: FSFLXRUFHDFOLD-IPJUCEIRSA-N
• XLogP: 17.53
• TPSA: 239.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.50
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide?

The IUPAC name of (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide (CID 158126351) is (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide.

What is the SMILES notation for (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide?

The canonical SMILES for (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide is CC(=O)C[C@H](CC(=O)[C@H](CC(C)C)n1ccc(CCN(C)CC(F)(F)F)cc1=O)c1ccnc(-c2c(C)cccc2Cl)c1.CC(=O)C[C@H](NC(=O)C(c1ccccc1)N1CC(N(C)C)CCC1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN(C)CC(F)F)ccc1=O)c1cncc(-c2c(C)cccc2F)c1.

What is the InChIKey of (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide?

The InChIKey is FSFLXRUFHDFOLD-IPJUCEIRSA-N. The full InChI is InChI=1S/C33H39ClF3N3O3.C32H39F3N4O3.C32H38N4O3/c1-21(2)15-29(40-14-11-24(17-31(40)43)10-13-39(5)20-33(35,36)37)30(42)19-26(16-23(4)41)25-9-12-38-28(18-25)32-22(3)7-6-8-27(32)34;1-20(2)13-28(39-18-23(9-10-30(39)41)11-12-38(5)19-29(34)35)32(42)37-27(14-22(4)40)24-15-25(17-36-16-24)31-21(3)7-6-8-26(31)33;1-21-10-9-11-22(2)30(21)26-17-25(18-33-19-26)28(16-23(3)37)34-32(39)31(24-12-7-6-8-13-24)36-20-27(35(4)5)14-15-29(36)38/h6-9,11-12,14,17-18,21,26,29H,10,13,15-16,19-20H2,1-5H3;6-10,15-18,20,27-29H,11-14,19H2,1-5H3,(H,37,42);6-13,17-19,27-28,31H,14-16,20H2,1-5H3,(H,34,39)/t26-,29+;27-,28-;27?,28-,31?/m100/s1.

What are the key properties of (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide?

(4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide has a molecular weight of 1729.50 g/mol, XLogP of 17.53, 37 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide is sourced from PubChem (CID 158126351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).