6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one

C159H170Cl3F4N27O19S5 — CID 157370518

About 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157370518) has the molecular formula C159H170Cl3F4N27O19S5 and a molecular weight of 3105.96 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157370518
• Molecular Formula: C159H170Cl3F4N27O19S5
• Molecular Weight: 3105.96 g/mol
• Exact Mass: 3102.08
• IUPAC Name: 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.COCCS(=O)(=O)c1cc(C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(CC(F)(F)F)c1=O.COCCS(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(C3CCOC3)c2=O)c(Cl)c1.COCCS(=O)(=O)c1cccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)C5)cc4)nc3n(Cc3ccccc3C)c2=O)c1C.Cc1ccccc1Cn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C37H41N5O4S.C33H33ClN6O3S.C31H32ClN5O5S.C30H32F4N6O4S.C27H28ClN5O3S.CH4/c1-25-8-5-6-9-29(25)24-42-35-30(21-33(36(42)43)32-10-7-11-34(26(32)2)47(44,45)19-18-46-4)22-38-37(40-35)39-31-14-12-27(13-15-31)20-28-16-17-41(3)23-28;1-22-6-4-5-7-23(22)21-40-31-24(18-29(32(40)41)28-13-12-27(19-30(28)34)44(3,42)43)20-35-33(37-31)36-25-8-10-26(11-9-25)39-16-14-38(2)15-17-39;1-41-14-15-43(39,40)25-6-7-26(28(32)17-25)27-16-22-18-34-31(36-29(22)37(30(27)38)24-10-13-42-19-24)35-23-4-2-20(3-5-23)21-8-11-33-12-9-21;1-18-4-6-22(26(12-18)45(42,43)11-10-44-3)23-13-20-16-36-29(38-27(20)40(28(23)41)17-30(32,33)34)37-21-5-7-25(24(31)14-21)39-9-8-35-15-19(39)2;1-3-33-25-19(14-23(26(33)34)22-9-8-21(15-24(22)28)37(2,35)36)16-30-27(32-25)31-20-6-4-17(5-7-20)18-10-12-29-13-11-18;/h5-15,21-22,28H,16-20,23-24H2,1-4H3,(H,38,39,40);4-13,18-20H,14-17,21H2,1-3H3,(H,35,36,37);2-8,16-18,24,33H,9-15,19H2,1H3,(H,34,35,36);4-7,12-14,16,19,35H,8-11,15,17H2,1-3H3,(H,36,37,38);4-9,14-16,18,29H,3,10-13H2,1-2H3,(H,30,31,32);1H4
• InChIKey: BJSAAKVMPFYEEA-UHFFFAOYSA-N
• XLogP: 25.57
• TPSA: 555.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 42
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3105.96
LogP ≤ 5	25.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 157370518) is 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one is C.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.COCCS(=O)(=O)c1cc(C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(CC(F)(F)F)c1=O.COCCS(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(C3CCOC3)c2=O)c(Cl)c1.COCCS(=O)(=O)c1cccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)C5)cc4)nc3n(Cc3ccccc3C)c2=O)c1C.Cc1ccccc1Cn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BJSAAKVMPFYEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N5O4S.C33H33ClN6O3S.C31H32ClN5O5S.C30H32F4N6O4S.C27H28ClN5O3S.CH4/c1-25-8-5-6-9-29(25)24-42-35-30(21-33(36(42)43)32-10-7-11-34(26(32)2)47(44,45)19-18-46-4)22-38-37(40-35)39-31-14-12-27(13-15-31)20-28-16-17-41(3)23-28;1-22-6-4-5-7-23(22)21-40-31-24(18-29(32(40)41)28-13-12-27(19-30(28)34)44(3,42)43)20-35-33(37-31)36-25-8-10-26(11-9-25)39-16-14-38(2)15-17-39;1-41-14-15-43(39,40)25-6-7-26(28(32)17-25)27-16-22-18-34-31(36-29(22)37(30(27)38)24-10-13-42-19-24)35-23-4-2-20(3-5-23)21-8-11-33-12-9-21;1-18-4-6-22(26(12-18)45(42,43)11-10-44-3)23-13-20-16-36-29(38-27(20)40(28(23)41)17-30(32,33)34)37-21-5-7-25(24(31)14-21)39-9-8-35-15-19(39)2;1-3-33-25-19(14-23(26(33)34)22-9-8-21(15-24(22)28)37(2,35)36)16-30-27(32-25)31-20-6-4-17(5-7-20)18-10-12-29-13-11-18;/h5-15,21-22,28H,16-20,23-24H2,1-4H3,(H,38,39,40);4-13,18-20H,14-17,21H2,1-3H3,(H,35,36,37);2-8,16-18,24,33H,9-15,19H2,1H3,(H,34,35,36);4-7,12-14,16,19,35H,8-11,15,17H2,1-3H3,(H,36,37,38);4-9,14-16,18,29H,3,10-13H2,1-2H3,(H,30,31,32);1H4.

What are the key properties of 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3105.96 g/mol, XLogP of 25.57, 42 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylsulfonylphenyl)-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[2-(2-methoxyethylsulfonyl)-4-methylphenyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-(2-methoxyethylsulfonyl)-2-methylphenyl]-8-[(2-methylphenyl)methyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157370518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).