6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C103H107F3N24O9S4 — CID 158011166

About 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158011166) has the molecular formula C103H107F3N24O9S4 and a molecular weight of 2010.41 g/mol. Its IUPAC name is 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158011166
• Molecular Formula: C103H107F3N24O9S4
• Molecular Weight: 2010.41 g/mol
• Exact Mass: 2008.75
• IUPAC Name: 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2ncoc2S(=O)(=O)CC(F)(F)F)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ccccc5S(=O)c5nccs5)c4n3)cc2)CC1.CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2ocnc2S(=O)c2ccncc2)c1=O
• InChI: InChI=1S/C36H36N8O2S2.C34H39N9O3S.C33H32F3N7O4S/c1-42-19-16-29(17-20-42)39-27-12-14-28(15-13-27)40-35-38-23-26-22-31(43(2)30-9-4-3-5-10-30)34(45)44(33(26)41-35)24-25-8-6-7-11-32(25)48(46)36-37-18-21-47-36;1-41-18-4-3-5-29(41)28-19-23-20-37-34(39-24-6-8-25(9-7-24)42(2)26-10-14-35-15-11-26)40-31(23)43(33(28)44)21-30-32(38-22-46-30)47(45)27-12-16-36-17-13-27;1-21(22-7-4-3-5-8-22)27-15-23-16-37-32(40-25-12-10-24(11-13-25)39-26-9-6-14-42(2)17-26)41-29(23)43(30(27)44)18-28-31(47-20-38-28)48(45,46)19-33(34,35)36/h3-15,18,21-23,29,39H,16-17,19-20,24H2,1-2H3,(H,38,40,41);6-9,12-13,16-17,19-20,22,26,29,35H,3-5,10-11,14-15,18,21H2,1-2H3,(H,37,39,40);3-5,7-8,10-13,15-16,20,26,39H,1,6,9,14,17-19H2,2H3,(H,37,40,41)
• InChIKey: FEXBNOFVQSFQQD-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 377.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2010.41
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 158011166) is 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2ncoc2S(=O)(=O)CC(F)(F)F)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ccccc5S(=O)c5nccs5)c4n3)cc2)CC1.CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2ocnc2S(=O)c2ccncc2)c1=O.

What is the InChIKey of 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FEXBNOFVQSFQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N8O2S2.C34H39N9O3S.C33H32F3N7O4S/c1-42-19-16-29(17-20-42)39-27-12-14-28(15-13-27)40-35-38-23-26-22-31(43(2)30-9-4-3-5-10-30)34(45)44(33(26)41-35)24-25-8-6-7-11-32(25)48(46)36-37-18-21-47-36;1-41-18-4-3-5-29(41)28-19-23-20-37-34(39-24-6-8-25(9-7-24)42(2)26-10-14-35-15-11-26)40-31(23)43(33(28)44)21-30-32(38-22-46-30)47(45)27-12-16-36-17-13-27;1-21(22-7-4-3-5-8-22)27-15-23-16-37-32(40-25-12-10-24(11-13-25)39-26-9-6-14-42(2)17-26)41-29(23)43(30(27)44)18-28-31(47-20-38-28)48(45,46)19-33(34,35)36/h3-15,18,21-23,29,39H,16-17,19-20,24H2,1-2H3,(H,38,40,41);6-9,12-13,16-17,19-20,22,26,29,35H,3-5,10-11,14-15,18,21H2,1-2H3,(H,37,39,40);3-5,7-8,10-13,15-16,20,26,39H,1,6,9,14,17-19H2,2H3,(H,37,40,41).

What are the key properties of 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2010.41 g/mol, XLogP of 16.43, 29 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(N-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-ylsulfinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(1-phenylethenyl)-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(4-pyridin-4-ylsulfinyl-1,3-oxazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158011166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).