8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one

C134H139F3N34O7S2 — CID 158199794

About 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one

8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158199794) has the molecular formula C134H139F3N34O7S2 and a molecular weight of 2458.94 g/mol. Its IUPAC name is 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158199794
• Molecular Formula: C134H139F3N34O7S2
• Molecular Weight: 2458.94 g/mol
• Exact Mass: 2457.10
• IUPAC Name: 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(C)cc2-c2cccn2C)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccccc4-c4nnn(C)n4)c(=O)n(-c4ccccc4)c3n2)cc1)C1CCNCC1.Cc1nn(-c2cccnc2)c(C)c1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1sc(-c2ccncc2)nc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CCN(S(C)(O)O)CC2)c1=O
• InChI: InChI=1S/C36H34F3N9O.C33H32N10O.C33H39N9O3S2.C32H34N6O2/c1-22-32(23(2)48(46-22)29-7-5-15-41-20-29)30-18-25-19-42-35(44-27-11-9-26(10-12-27)43-28-13-16-40-17-14-28)45-33(25)47(34(30)49)21-24-6-3-4-8-31(24)36(37,38)39;1-41(25-16-18-34-19-17-25)24-14-12-23(13-15-24)36-33-35-21-22-20-29(27-10-6-7-11-28(27)30-38-40-42(2)39-30)32(44)43(31(22)37-33)26-8-4-3-5-9-26;1-21-29(38-31(46-21)22-8-13-34-14-9-22)28-18-23-19-35-33(37-25-6-4-24(5-7-25)36-26-10-15-40(2)20-26)39-30(23)42(32(28)43)27-11-16-41(17-12-27)47(3,44)45;1-5-38-30-23(18-27(31(38)39)25-13-8-21(2)17-26(25)28-7-6-14-37(28)4)19-33-32(35-30)34-24-11-9-22(10-12-24)29-20-36(3)15-16-40-29/h3-12,15,18-20,28,40,43H,13-14,16-17,21H2,1-2H3,(H,42,44,45);3-15,20-21,25,34H,16-19H2,1-2H3,(H,35,36,37);4-9,13-14,18-19,26-27,36,44-45H,10-12,15-17,20H2,1-3H3,(H,35,37,39);6-14,17-19,29H,5,15-16,20H2,1-4H3,(H,33,34,35)
• InChIKey: GAUDKVWXKXSZCP-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 455.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.94
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one (CID 158199794) is 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C)cc2-c2cccn2C)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccccc4-c4nnn(C)n4)c(=O)n(-c4ccccc4)c3n2)cc1)C1CCNCC1.Cc1nn(-c2cccnc2)c(C)c1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1sc(-c2ccncc2)nc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CCN(S(C)(O)O)CC2)c1=O.

What is the InChIKey of 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GAUDKVWXKXSZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F3N9O.C33H32N10O.C33H39N9O3S2.C32H34N6O2/c1-22-32(23(2)48(46-22)29-7-5-15-41-20-29)30-18-25-19-42-35(44-27-11-9-26(10-12-27)43-28-13-16-40-17-14-28)45-33(25)47(34(30)49)21-24-6-3-4-8-31(24)36(37,38)39;1-41(25-16-18-34-19-17-25)24-14-12-23(13-15-24)36-33-35-21-22-20-29(27-10-6-7-11-28(27)30-38-40-42(2)39-30)32(44)43(31(22)37-33)26-8-4-3-5-9-26;1-21-29(38-31(46-21)22-8-13-34-14-9-22)28-18-23-19-35-33(37-25-6-4-24(5-7-25)36-26-10-15-40(2)20-26)39-30(23)42(32(28)43)27-11-16-41(17-12-27)47(3,44)45;1-5-38-30-23(18-27(31(38)39)25-13-8-21(2)17-26(25)28-7-6-14-37(28)4)19-33-32(35-30)34-24-11-9-22(10-12-24)29-20-36(3)15-16-40-29/h3-12,15,18-20,28,40,43H,13-14,16-17,21H2,1-2H3,(H,42,44,45);3-15,20-21,25,34H,16-19H2,1-2H3,(H,35,36,37);4-9,13-14,18-19,26-27,36,44-45H,10-12,15-17,20H2,1-3H3,(H,35,37,39);6-14,17-19,29H,5,15-16,20H2,1-4H3,(H,33,34,35).

What are the key properties of 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2458.94 g/mol, XLogP of 22.82, 29 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158199794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).