6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide

C151H121Cl6F6N25O16S6 — CID 162096695

About 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide

6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide (PubChem CID 162096695) has the molecular formula C151H121Cl6F6N25O16S6 and a molecular weight of 3060.90 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
• PubChem CID: 162096695
• Molecular Formula: C151H121Cl6F6N25O16S6
• Molecular Weight: 3060.90 g/mol
• Exact Mass: 3055.58
• IUPAC Name: 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
• SMILES: CCS(=O)(=O)c1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12.CCS(=O)Nc1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12.COc1ccc(S(=O)(=O)Nc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.Cc1cc(-c2cc3c(=O)c(NS(=O)(=O)Cc4ccc(C(F)(F)F)nc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)c(NS(=O)Cc4ccc(C(F)(F)F)nc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc(NS(=O)CC4CCCC4)[nH]c3nc2-c2ccccc2)cc(Cl)n1
• InChI: InChI=1S/C27H19ClF3N5O3S.C27H19ClF3N5O2S.C27H21ClN4O4S.C26H25ClN4O2S.C22H19ClN4O2S.C22H18ClN3O3S/c1-15-9-18(10-23(28)34-15)19-11-20-25(37)21(13-33-26(20)35-24(19)17-5-3-2-4-6-17)36-40(38,39)14-16-7-8-22(32-12-16)27(29,30)31;1-15-9-18(10-23(28)34-15)19-11-20-25(37)21(13-33-26(20)35-24(19)17-5-3-2-4-6-17)36-39(38)14-16-7-8-22(32-12-16)27(29,30)31;1-16-12-18(13-24(28)29-16)21-14-22-23(33)15-25(30-27(22)31-26(21)17-6-4-3-5-7-17)32-37(34,35)20-10-8-19(36-2)9-11-20;1-16-11-19(12-23(27)28-16)20-13-21-22(32)14-24(31-34(33)15-17-7-5-6-8-17)29-26(21)30-25(20)18-9-3-2-4-10-18;1-3-30(29)27-21-18(15-11-13(2)25-17(23)12-15)20(14-7-5-4-6-8-14)26-22-19(21)16(28)9-10-24-22;1-3-30(28,29)21-18(15-11-13(2)25-17(23)12-15)20(14-7-5-4-6-8-14)26-22-19(21)16(27)9-10-24-22/h2-13,36H,14H2,1H3,(H,33,35,37);2-13,36H,14H2,1H3,(H,33,35,37);3-15H,1-2H3,(H2,30,31,32,33);2-4,9-14,17H,5-8,15H2,1H3,(H2,29,30,31,32);4-12H,3H2,1-2H3,(H2,24,26,27,28);4-12H,3H2,1-2H3,(H,24,26,27)
• InChIKey: ZEINHKZCGMUQLT-UHFFFAOYSA-N
• XLogP: 32.69
• TPSA: 600.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3060.90
LogP ≤ 5	32.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?

The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide (CID 162096695) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?

The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide is CCS(=O)(=O)c1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12.CCS(=O)Nc1c(-c2cc(C)nc(Cl)c2)c(-c2ccccc2)nc2[nH]ccc(=O)c12.COc1ccc(S(=O)(=O)Nc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.Cc1cc(-c2cc3c(=O)c(NS(=O)(=O)Cc4ccc(C(F)(F)F)nc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)c(NS(=O)Cc4ccc(C(F)(F)F)nc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc(NS(=O)CC4CCCC4)[nH]c3nc2-c2ccccc2)cc(Cl)n1.

What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?

The InChIKey is ZEINHKZCGMUQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF3N5O3S.C27H19ClF3N5O2S.C27H21ClN4O4S.C26H25ClN4O2S.C22H19ClN4O2S.C22H18ClN3O3S/c1-15-9-18(10-23(28)34-15)19-11-20-25(37)21(13-33-26(20)35-24(19)17-5-3-2-4-6-17)36-40(38,39)14-16-7-8-22(32-12-16)27(29,30)31;1-15-9-18(10-23(28)34-15)19-11-20-25(37)21(13-33-26(20)35-24(19)17-5-3-2-4-6-17)36-39(38)14-16-7-8-22(32-12-16)27(29,30)31;1-16-12-18(13-24(28)29-16)21-14-22-23(33)15-25(30-27(22)31-26(21)17-6-4-3-5-7-17)32-37(34,35)20-10-8-19(36-2)9-11-20;1-16-11-19(12-23(27)28-16)20-13-21-22(32)14-24(31-34(33)15-17-7-5-6-8-17)29-26(21)30-25(20)18-9-3-2-4-10-18;1-3-30(29)27-21-18(15-11-13(2)25-17(23)12-15)20(14-7-5-4-6-8-14)26-22-19(21)16(28)9-10-24-22;1-3-30(28,29)21-18(15-11-13(2)25-17(23)12-15)20(14-7-5-4-6-8-14)26-22-19(21)16(27)9-10-24-22/h2-13,36H,14H2,1H3,(H,33,35,37);2-13,36H,14H2,1H3,(H,33,35,37);3-15H,1-2H3,(H2,30,31,32,33);2-4,9-14,17H,5-8,15H2,1H3,(H2,29,30,31,32);4-12H,3H2,1-2H3,(H2,24,26,27,28);4-12H,3H2,1-2H3,(H,24,26,27).

What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?

6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide has a molecular weight of 3060.90 g/mol, XLogP of 32.69, 33 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-6-methyl-4-pyridinyl)-5-ethylsulfonyl-7-phenyl-1H-1,8-naphthyridin-4-one;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-1-cyclopentylmethanesulfinamide;N-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-4-yl]ethanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide;N-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 162096695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).