6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate

C131H153F4N39O12S2 — CID 159060425

About 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate

6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate (PubChem CID 159060425) has the molecular formula C131H153F4N39O12S2 and a molecular weight of 2606.05 g/mol. Its IUPAC name is 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate.

Molecular Properties

• Compound Name: 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate
• PubChem CID: 159060425
• Molecular Formula: C131H153F4N39O12S2
• Molecular Weight: 2606.05 g/mol
• Exact Mass: 2604.19
• IUPAC Name: 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate
• SMILES: CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6nnn(C)n6)cc5F)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.CSN(C)CCn1c(=O)c(-c2cnc(C3=CCNN3C)nc2C)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CSN1CCC(n2c(=O)c(-c3c(C)nn(-c4nnnn4C)c3C)cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc32)CC1.Cc1cc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc2n(CC2CCOCC2)c1=O.O.O.O.O
• InChI: InChI=1S/C35H40N8O2.C34H29F4N9O2.C31H38N12O2S.C31H38N10O2S.4H2O/c1-23-16-31(32-8-12-38-42(32)3)36-20-30(23)29-18-27-19-37-35(40-33(27)43(34(29)44)22-25-10-14-45-15-11-25)39-28-6-4-24(5-7-28)17-26-9-13-41(2)21-26;1-45-14-13-25(19-45)49-24-10-8-23(9-11-24)40-33-39-17-22-15-27(26-12-7-20(16-29(26)35)30-42-44-46(2)43-30)32(48)47(31(22)41-33)18-21-5-3-4-6-28(21)34(36,37)38;1-19-27(20(2)43(36-19)31-35-37-38-40(31)4)25-16-22-17-32-30(33-23-8-6-21(7-9-23)26-18-39(3)14-15-45-26)34-28(22)42(29(25)44)24-10-12-41(46-5)13-11-24;1-20-26(19-33-28(36-20)27-11-14-35-40(27)3)25-17-21-18-34-31(38-29(21)41(30(25)42)16-15-39(2)44-4)37-22-5-7-23(8-6-22)43-24-9-12-32-13-10-24;;;;/h4-8,12,16,18-20,25-26H,9-11,13-15,17,21-22H2,1-3H3,(H,37,39,40);3-12,15-17,25H,13-14,18-19H2,1-2H3,(H,39,40,41);6-9,16-17,24,26H,10-15,18H2,1-5H3,(H,32,33,34);5-8,11,17-19,24,32,35H,9-10,12-16H2,1-4H3,(H,34,37,38);4*1H2
• InChIKey: IPKQLYQPEUZCDZ-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 607.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 49
• Rotatable Bonds: 33
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2606.05
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate?

The IUPAC name of 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate (CID 159060425) is 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate.

What is the SMILES notation for 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate?

The canonical SMILES for 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate is CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6nnn(C)n6)cc5F)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.CSN(C)CCn1c(=O)c(-c2cnc(C3=CCNN3C)nc2C)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CSN1CCC(n2c(=O)c(-c3c(C)nn(-c4nnnn4C)c3C)cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc32)CC1.Cc1cc(-c2ccnn2C)ncc1-c1cc2cnc(Nc3ccc(CC4CCN(C)C4)cc3)nc2n(CC2CCOCC2)c1=O.O.O.O.O.

What is the InChIKey of 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate?

The InChIKey is IPKQLYQPEUZCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N8O2.C34H29F4N9O2.C31H38N12O2S.C31H38N10O2S.4H2O/c1-23-16-31(32-8-12-38-42(32)3)36-20-30(23)29-18-27-19-37-35(40-33(27)43(34(29)44)22-25-10-14-45-15-11-25)39-28-6-4-24(5-7-28)17-26-9-13-41(2)21-26;1-45-14-13-25(19-45)49-24-10-8-23(9-11-24)40-33-39-17-22-15-27(26-12-7-20(16-29(26)35)30-42-44-46(2)43-30)32(48)47(31(22)41-33)18-21-5-3-4-6-28(21)34(36,37)38;1-19-27(20(2)43(36-19)31-35-37-38-40(31)4)25-16-22-17-32-30(33-23-8-6-21(7-9-23)26-18-39(3)14-15-45-26)34-28(22)42(29(25)44)24-10-12-41(46-5)13-11-24;1-20-26(19-33-28(36-20)27-11-14-35-40(27)3)25-17-21-18-34-31(38-29(21)41(30(25)42)16-15-39(2)44-4)37-22-5-7-23(8-6-22)43-24-9-12-32-13-10-24;;;;/h4-8,12,16,18-20,25-26H,9-11,13-15,17,21-22H2,1-3H3,(H,37,39,40);3-12,15-17,25H,13-14,18-19H2,1-2H3,(H,39,40,41);6-9,16-17,24,26H,10-15,18H2,1-5H3,(H,32,33,34);5-8,11,17-19,24,32,35H,9-10,12-16H2,1-4H3,(H,34,37,38);4*1H2.

What are the key properties of 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate?

6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate has a molecular weight of 2606.05 g/mol, XLogP of 14.49, 33 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,5-dimethyl-1-(1-methyltetrazol-5-yl)pyrazol-4-yl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(2-methyltetrazol-5-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methyl-1,5-dihydropyrazol-3-yl)pyrimidin-5-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;tetrahydrate is sourced from PubChem (CID 159060425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).