2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C134H157ClFN33O11S5 — CID 158584359

About 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158584359) has the molecular formula C134H157ClFN33O11S5 and a molecular weight of 2620.74 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158584359
• Molecular Formula: C134H157ClFN33O11S5
• Molecular Weight: 2620.74 g/mol
• Exact Mass: 2618.10
• IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1c(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)ncn1-c1cccs1.Cc1cc(-c2cscn2)ccc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1cc(C2CCCN2C)cnc1-c1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(C2CCCCN2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O
• InChI: InChI=1S/C34H42ClN9O3S.C34H37N7O2S2.C33H42FN9O3S.C33H36N8O3S/c1-22-26(7-8-30(39-22)29-5-3-4-12-37-29)27-19-23-21-38-34(40-24-6-9-31(28(35)20-24)42-17-13-36-14-18-42)41-32(23)44(33(27)45)25-10-15-43(16-11-25)48(2,46)47;1-23-17-25(30-21-44-22-36-30)5-8-28(23)29-18-26-19-35-34(37-27-6-3-24(4-7-27)31-20-39(2)13-16-45-31)38-32(26)41(33(29)42)10-9-40-11-14-43-15-12-40;1-21-15-23(28-7-6-11-40(28)3)18-36-30(21)26-16-24-19-37-33(39-31(24)43(32(26)44)14-13-41(4)47(5,45)46)38-25-8-9-29(27(34)17-25)42-12-10-35-22(2)20-42;1-22-30(35-21-41(22)29-6-5-17-45-29)27-18-23-19-34-33(37-31(23)40(32(27)43)20-28(42)39-13-3-4-14-39)36-24-7-9-25(10-8-24)44-26-11-15-38(2)16-12-26/h6-9,19-21,25,29,36-37H,3-5,10-18H2,1-2H3,(H,38,40,41);3-8,17-19,21-22,31H,9-16,20H2,1-2H3,(H,35,37,38);8-9,15-19,22,28,35H,6-7,10-14,20H2,1-5H3,(H,37,38,39);5-10,17-19,21,26H,3-4,11-16,20H2,1-2H3,(H,34,36,37)
• InChIKey: HTQGUJHEAJHAKX-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 464.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2620.74
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158584359) is 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1c(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)ncn1-c1cccs1.Cc1cc(-c2cscn2)ccc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1cc(C2CCCN2C)cnc1-c1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(C2CCCCN2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.

What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HTQGUJHEAJHAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClN9O3S.C34H37N7O2S2.C33H42FN9O3S.C33H36N8O3S/c1-22-26(7-8-30(39-22)29-5-3-4-12-37-29)27-19-23-21-38-34(40-24-6-9-31(28(35)20-24)42-17-13-36-14-18-42)41-32(23)44(33(27)45)25-10-15-43(16-11-25)48(2,46)47;1-23-17-25(30-21-44-22-36-30)5-8-28(23)29-18-26-19-35-34(37-27-6-3-24(4-7-27)31-20-39(2)13-16-45-31)38-32(26)41(33(29)42)10-9-40-11-14-43-15-12-40;1-21-15-23(28-7-6-11-40(28)3)18-36-30(21)26-16-24-19-37-33(39-31(24)43(32(26)44)14-13-41(4)47(5,45)46)38-25-8-9-29(27(34)17-25)42-12-10-35-22(2)20-42;1-22-30(35-21-41(22)29-6-5-17-45-29)27-18-23-19-34-33(37-31(23)40(32(27)43)20-28(42)39-13-3-4-14-39)36-24-7-9-25(10-8-24)44-26-11-15-38(2)16-12-26/h6-9,19-21,25,29,36-37H,3-5,10-18H2,1-2H3,(H,38,40,41);3-8,17-19,21-22,31H,9-16,20H2,1-2H3,(H,35,37,38);8-9,15-19,22,28,35H,6-7,10-14,20H2,1-5H3,(H,37,38,39);5-10,17-19,21,26H,3-4,11-16,20H2,1-2H3,(H,34,36,37).

What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2620.74 g/mol, XLogP of 18.42, 32 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[3-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(5-methyl-1-thiophen-2-ylimidazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158584359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).