3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide

C192H157Cl7N28O23S7 — CID 158407226

IUPAC3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
SMILESCCS(=O)(=O)NC(=O)Cc1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3ccccc3)nc2[nH]1.COc1ccc(NS(=O)(=O)Cc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.COc1ccc(NS(=O)Cc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.Cc1cc(-c2cc3c(=O)c(CC(=O)CS(=O)(=O)c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1ccc(CS(=O)(=O)Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1.Cc1ccc(CS(=O)Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1
InChIInChI=1S/C29H22ClN3O4S.C28H23ClN4O4S.2C28H23ClN4O3S.C28H23ClN4O2S.C27H22ClN5O3S.C24H21ClN4O4S/c1-18-12-20(14-26(30)32-18)24-15-25-28(35)21(13-22(34)17-38(36,37)23-10-6-3-7-11-23)16-31-29(25)33-27(24)19-8-4-2-5-9-19;1-17-12-19(13-26(29)30-17)23-15-24-25(34)14-21(31-28(24)32-27(23)18-6-4-3-5-7-18)16-38(35,36)33-20-8-10-22(37-2)11-9-20;1-17-12-19(13-26(29)30-17)23-15-24-25(34)14-21(16-37(35)33-20-8-10-22(36-2)11-9-20)31-28(24)32-27(23)18-6-4-3-5-7-18;1-17-8-9-19(13-30-17)15-37(35,36)16-22-14-31-28-24(27(22)34)12-23(21-10-18(2)32-25(29)11-21)26(33-28)20-6-4-3-5-7-20;1-17-8-9-19(13-30-17)15-36(35)16-22-14-31-28-24(27(22)34)12-23(21-10-18(2)32-25(29)11-21)26(33-28)20-6-4-3-5-7-20;1-16-8-9-21(15-29-16)37(35,36)31-14-20-13-30-27-23(26(20)34)12-22(19-10-17(2)32-24(28)11-19)25(33-27)18-6-4-3-5-7-18;1-3-34(32,33)29-22(31)12-17-11-20(30)19-13-18(16-9-14(2)26-21(25)10-16)23(28-24(19)27-17)15-7-5-4-6-8-15/h2-12,14-16H,13,17H2,1H3,(H,31,33,35);3-15,33H,16H2,1-2H3,(H,31,32,34);3-15,33H,16H2,1-2H3,(H,31,32,34);3-14H,15-16H2,1-2H3,(H,31,33,34);3-14H,15-16H2,1-2H3,(H,31,33,34);3-13,15,31H,14H2,1-2H3,(H,30,33,34);4-11,13H,3,12H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyGYVSIYRKKXZVIQ-UHFFFAOYSA-N
MW3697.18 g/mol
LogP36.28
Rot. Bonds45

About 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide

3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide (PubChem CID 158407226) has the molecular formula C192H157Cl7N28O23S7 and a molecular weight of 3697.18 g/mol. Its IUPAC name is 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
PubChem CID158407226
Molecular FormulaC192H157Cl7N28O23S7
Molecular Weight3697.18 g/mol
Exact Mass3690.78
IUPAC Name3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
SMILESCCS(=O)(=O)NC(=O)Cc1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3ccccc3)nc2[nH]1.COc1ccc(NS(=O)(=O)Cc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.COc1ccc(NS(=O)Cc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.Cc1cc(-c2cc3c(=O)c(CC(=O)CS(=O)(=O)c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1ccc(CS(=O)(=O)Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1.Cc1ccc(CS(=O)Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1
InChIInChI=1S/C29H22ClN3O4S.C28H23ClN4O4S.2C28H23ClN4O3S.C28H23ClN4O2S.C27H22ClN5O3S.C24H21ClN4O4S/c1-18-12-20(14-26(30)32-18)24-15-25-28(35)21(13-22(34)17-38(36,37)23-10-6-3-7-11-23)16-31-29(25)33-27(24)19-8-4-2-5-9-19;1-17-12-19(13-26(29)30-17)23-15-24-25(34)14-21(31-28(24)32-27(23)18-6-4-3-5-7-18)16-38(35,36)33-20-8-10-22(37-2)11-9-20;1-17-12-19(13-26(29)30-17)23-15-24-25(34)14-21(16-37(35)33-20-8-10-22(36-2)11-9-20)31-28(24)32-27(23)18-6-4-3-5-7-18;1-17-8-9-19(13-30-17)15-37(35,36)16-22-14-31-28-24(27(22)34)12-23(21-10-18(2)32-25(29)11-21)26(33-28)20-6-4-3-5-7-20;1-17-8-9-19(13-30-17)15-36(35)16-22-14-31-28-24(27(22)34)12-23(21-10-18(2)32-25(29)11-21)26(33-28)20-6-4-3-5-7-20;1-16-8-9-21(15-29-16)37(35,36)31-14-20-13-30-27-23(26(20)34)12-22(19-10-17(2)32-24(28)11-19)25(33-27)18-6-4-3-5-7-18;1-3-34(32,33)29-22(31)12-17-11-20(30)19-13-18(16-9-14(2)26-21(25)10-16)23(28-24(19)27-17)15-7-5-4-6-8-15/h2-12,14-16H,13,17H2,1H3,(H,31,33,35);3-15,33H,16H2,1-2H3,(H,31,32,34);3-15,33H,16H2,1-2H3,(H,31,32,34);3-14H,15-16H2,1-2H3,(H,31,33,34);3-14H,15-16H2,1-2H3,(H,31,33,34);3-13,15,31H,14H2,1-2H3,(H,30,33,34);4-11,13H,3,12H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyGYVSIYRKKXZVIQ-UHFFFAOYSA-N
XLogP36.28
TPSA754.71 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003697.18
LogP ≤ 536.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide 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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
The IUPAC name of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide (CID 158407226) is 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide.
What is the SMILES notation for 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
The canonical SMILES for 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide is CCS(=O)(=O)NC(=O)Cc1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3ccccc3)nc2[nH]1.COc1ccc(NS(=O)(=O)Cc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.COc1ccc(NS(=O)Cc2cc(=O)c3cc(-c4cc(C)nc(Cl)c4)c(-c4ccccc4)nc3[nH]2)cc1.Cc1cc(-c2cc3c(=O)c(CC(=O)CS(=O)(=O)c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1ccc(CS(=O)(=O)Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1.Cc1ccc(CS(=O)Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cn1.
What is the InChIKey of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
The InChIKey is GYVSIYRKKXZVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN3O4S.C28H23ClN4O4S.2C28H23ClN4O3S.C28H23ClN4O2S.C27H22ClN5O3S.C24H21ClN4O4S/c1-18-12-20(14-26(30)32-18)24-15-25-28(35)21(13-22(34)17-38(36,37)23-10-6-3-7-11-23)16-31-29(25)33-27(24)19-8-4-2-5-9-19;1-17-12-19(13-26(29)30-17)23-15-24-25(34)14-21(31-28(24)32-27(23)18-6-4-3-5-7-18)16-38(35,36)33-20-8-10-22(37-2)11-9-20;1-17-12-19(13-26(29)30-17)23-15-24-25(34)14-21(16-37(35)33-20-8-10-22(36-2)11-9-20)31-28(24)32-27(23)18-6-4-3-5-7-18;1-17-8-9-19(13-30-17)15-37(35,36)16-22-14-31-28-24(27(22)34)12-23(21-10-18(2)32-25(29)11-21)26(33-28)20-6-4-3-5-7-20;1-17-8-9-19(13-30-17)15-36(35)16-22-14-31-28-24(27(22)34)12-23(21-10-18(2)32-25(29)11-21)26(33-28)20-6-4-3-5-7-20;1-16-8-9-21(15-29-16)37(35,36)31-14-20-13-30-27-23(26(20)34)12-22(19-10-17(2)32-24(28)11-19)25(33-27)18-6-4-3-5-7-18;1-3-34(32,33)29-22(31)12-17-11-20(30)19-13-18(16-9-14(2)26-21(25)10-16)23(28-24(19)27-17)15-7-5-4-6-8-15/h2-12,14-16H,13,17H2,1H3,(H,31,33,35);3-15,33H,16H2,1-2H3,(H,31,32,34);3-15,33H,16H2,1-2H3,(H,31,32,34);3-14H,15-16H2,1-2H3,(H,31,33,34);3-14H,15-16H2,1-2H3,(H,31,33,34);3-13,15,31H,14H2,1-2H3,(H,30,33,34);4-11,13H,3,12H2,1-2H3,(H,29,31)(H,27,28,30).
What are the key properties of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide?
3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide has a molecular weight of 3697.18 g/mol, XLogP of 36.28, 45 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-7-phenyl-1H-1,8-naphthyridin-4-one;2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-ethylsulfonylacetamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfinamide;1-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide;N-[[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 158407226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).