8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C136H147F7N32O17S6 — CID 159120697

About 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159120697) has the molecular formula C136H147F7N32O17S6 and a molecular weight of 2827.27 g/mol. Its IUPAC name is 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159120697
• Molecular Formula: C136H147F7N32O17S6
• Molecular Weight: 2827.27 g/mol
• Exact Mass: 2824.98
• IUPAC Name: 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)NCCS(=O)(=O)c1cccc(F)c1Cn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CN(C)CCS(=O)(=O)c1cccc(F)c1Cn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5c(F)cccc5S(=O)(=O)CC(F)(F)F)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5c(F)cccc5S(=O)(=O)CCO)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5sccc5S(C)(=O)=O)c4n3)cc2)CC1
• InChI: InChI=1S/C29H32FN7O4S.C29H34FN7O3S.C27H26F4N6O3S.C27H29FN6O4S.C24H26N6O3S2/c1-20(38)31-12-17-42(40,41)26-5-3-4-25(30)24(26)19-37-27(39)11-6-21-18-32-29(34-28(21)37)33-22-7-9-23(10-8-22)36-15-13-35(2)14-16-36;1-34(2)17-18-41(39,40)26-6-4-5-25(30)24(26)20-37-27(38)12-7-21-19-31-29(33-28(21)37)32-22-8-10-23(11-9-22)36-15-13-35(3)14-16-36;1-35-11-13-36(14-12-35)20-8-6-19(7-9-20)33-26-32-15-18-5-10-24(38)37(25(18)34-26)16-21-22(28)3-2-4-23(21)41(39,40)17-27(29,30)31;1-32-11-13-33(14-12-32)21-8-6-20(7-9-21)30-27-29-17-19-5-10-25(36)34(26(19)31-27)18-22-23(28)3-2-4-24(22)39(37,38)16-15-35;1-28-10-12-29(13-11-28)19-6-4-18(5-7-19)26-24-25-15-17-3-8-22(31)30(23(17)27-24)16-20-21(9-14-34-20)35(2,32)33/h3-11,18H,12-17,19H2,1-2H3,(H,31,38)(H,32,33,34);4-12,19H,13-18,20H2,1-3H3,(H,31,32,33);2-10,15H,11-14,16-17H2,1H3,(H,32,33,34);2-10,17,35H,11-16,18H2,1H3,(H,29,30,31);3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,27)
• InChIKey: KFQULULDAUOADT-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 554.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 39
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2827.27
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159120697) is 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is CC(=O)NCCS(=O)(=O)c1cccc(F)c1Cn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CN(C)CCS(=O)(=O)c1cccc(F)c1Cn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5c(F)cccc5S(=O)(=O)CC(F)(F)F)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5c(F)cccc5S(=O)(=O)CCO)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5sccc5S(C)(=O)=O)c4n3)cc2)CC1.

What is the InChIKey of 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KFQULULDAUOADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O4S.C29H34FN7O3S.C27H26F4N6O3S.C27H29FN6O4S.C24H26N6O3S2/c1-20(38)31-12-17-42(40,41)26-5-3-4-25(30)24(26)19-37-27(39)11-6-21-18-32-29(34-28(21)37)33-22-7-9-23(10-8-22)36-15-13-35(2)14-16-36;1-34(2)17-18-41(39,40)26-6-4-5-25(30)24(26)20-37-27(38)12-7-21-19-31-29(33-28(21)37)32-22-8-10-23(11-9-22)36-15-13-35(3)14-16-36;1-35-11-13-36(14-12-35)20-8-6-19(7-9-20)33-26-32-15-18-5-10-24(38)37(25(18)34-26)16-21-22(28)3-2-4-23(21)41(39,40)17-27(29,30)31;1-32-11-13-33(14-12-32)21-8-6-20(7-9-21)30-27-29-17-19-5-10-25(36)34(26(19)31-27)18-22-23(28)3-2-4-24(22)39(37,38)16-15-35;1-28-10-12-29(13-11-28)19-6-4-18(5-7-19)26-24-25-15-17-3-8-22(31)30(23(17)27-24)16-20-21(9-14-34-20)35(2,32)33/h3-11,18H,12-17,19H2,1-2H3,(H,31,38)(H,32,33,34);4-12,19H,13-18,20H2,1-3H3,(H,31,32,33);2-10,15H,11-14,16-17H2,1H3,(H,32,33,34);2-10,17,35H,11-16,18H2,1H3,(H,29,30,31);3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,27).

What are the key properties of 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2827.27 g/mol, XLogP of 14.04, 39 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-[2-(dimethylamino)ethylsulfonyl]-6-fluorophenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-fluoro-6-(2-hydroxyethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[3-fluoro-2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]sulfonylethyl]acetamide;8-[[2-fluoro-6-(2,2,2-trifluoroethylsulfonyl)phenyl]methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methylsulfonylthiophen-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159120697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).