6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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

C137H142F4N30O12S5 — CID 162204026

About 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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

6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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 162204026) has the molecular formula C137H142F4N30O12S5 and a molecular weight of 2637.17 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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.

Molecular Properties

• Compound Name: 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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: 162204026
• Molecular Formula: C137H142F4N30O12S5
• Molecular Weight: 2637.17 g/mol
• Exact Mass: 2635.00
• IUPAC Name: 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2ncoc2S(=O)(=O)CC(F)(F)F)c1=O.C=S(C)(=O)c1cccc(Cn2c(=O)c(Oc3ccccc3F)cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc32)c1.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.C34H35FN6O3S.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;1-40(27-9-7-17-36-21-27)26-15-13-25(14-16-26)38-34-37-20-24-19-31(44-30-12-5-4-11-29(30)35)33(42)41(32(24)39-34)22-23-8-6-10-28(18-23)45(2,3)43;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);4-6,8,10-16,18-20,27,36H,2,7,9,17,21-22H2,1,3H3,(H,37,38,39);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: ZRYMQADSUCBSRA-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 479.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 38
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.17
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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?

The IUPAC name of 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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 (CID 162204026) is 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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.

What is the SMILES notation for 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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?

The canonical SMILES for 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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 is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2ncoc2S(=O)(=O)CC(F)(F)F)c1=O.C=S(C)(=O)c1cccc(Cn2c(=O)c(Oc3ccccc3F)cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc32)c1.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-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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?

The InChIKey is ZRYMQADSUCBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N8O2S2.C34H35FN6O3S.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;1-40(27-9-7-17-36-21-27)26-15-13-25(14-16-26)38-34-37-20-24-19-31(44-30-12-5-4-11-29(30)35)33(42)41(32(24)39-34)22-23-8-6-10-28(18-23)45(2,3)43;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);4-6,8,10-16,18-20,27,36H,2,7,9,17,21-22H2,1,3H3,(H,37,38,39);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-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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?

6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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 2637.17 g/mol, XLogP of 21.84, 38 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluorophenoxy)-8-[[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]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 is sourced from PubChem (CID 162204026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).