2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C141H147F4N33O11S3 — CID 159262187

About 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159262187) has the molecular formula C141H147F4N33O11S3 and a molecular weight of 2652.14 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159262187
• Molecular Formula: C141H147F4N33O11S3
• Molecular Weight: 2652.14 g/mol
• Exact Mass: 2650.11
• IUPAC Name: 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(-c2ccccc2)ncc1-c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1cnc(-c2ccccn2)nc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1nc(-c2ccccc2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(-c2cnccn2)ncc1-c1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O
• InChI: InChI=1S/C37H41N7O3.C36H31F3N8OS.C35H39N7O4S.C33H36FN11O3S/c1-26-21-34(27-7-4-3-5-8-27)38-24-33(26)32-22-28-23-39-37(41-35(28)44(36(32)45)16-15-43-17-19-46-20-18-43)40-29-10-12-30(13-11-29)47-31-9-6-14-42(2)25-31;1-22-18-41-32(29-9-5-6-14-40-29)44-31(22)27-17-25-19-42-35(43-26-12-10-23(11-13-26)30-21-46(2)15-16-49-30)45-33(25)47(34(27)48)20-24-7-3-4-8-28(24)36(37,38)39;1-24-30(14-15-32(37-24)25-8-6-5-7-9-25)31-22-26-23-36-35(39-33(26)42(34(31)43)21-20-41(3)47(4,44)45)38-27-10-12-28(13-11-27)46-29-16-18-40(2)19-17-29;1-20-19-43(13-10-36-20)29-5-4-23(15-27(29)34)41-33-39-16-22-14-25(26-17-38-30(40-21(26)2)28-18-35-8-9-37-28)32(46)45(31(22)42-33)24-6-11-44(12-7-24)49(3,47)48/h3-5,7-8,10-13,21-24,31H,6,9,14-20,25H2,1-2H3,(H,39,40,41);3-14,17-19,30H,15-16,20-21H2,1-2H3,(H,42,43,45);5-15,22-23,29H,16-21H2,1-4H3,(H,36,38,39);4-5,8-9,14-18,20,24,36H,6-7,10-13,19H2,1-3H3,(H,39,41,42)
• InChIKey: KWQPJJPDHQNRND-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 485.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2652.14
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

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-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159262187) is 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2ccccc2)ncc1-c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(CCN2CCOCC2)c1=O.Cc1cnc(-c2ccccn2)nc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1nc(-c2ccccc2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O.Cc1nc(-c2cnccn2)ncc1-c1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.

What is the InChIKey of 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KWQPJJPDHQNRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O3.C36H31F3N8OS.C35H39N7O4S.C33H36FN11O3S/c1-26-21-34(27-7-4-3-5-8-27)38-24-33(26)32-22-28-23-39-37(41-35(28)44(36(32)45)16-15-43-17-19-46-20-18-43)40-29-10-12-30(13-11-29)47-31-9-6-14-42(2)25-31;1-22-18-41-32(29-9-5-6-14-40-29)44-31(22)27-17-25-19-42-35(43-26-12-10-23(11-13-26)30-21-46(2)15-16-49-30)45-33(25)47(34(27)48)20-24-7-3-4-8-28(24)36(37,38)39;1-24-30(14-15-32(37-24)25-8-6-5-7-9-25)31-22-26-23-36-35(39-33(26)42(34(31)43)21-20-41(3)47(4,44)45)38-27-10-12-28(13-11-27)46-29-16-18-40(2)19-17-29;1-20-19-43(13-10-36-20)29-5-4-23(15-27(29)34)41-33-39-16-22-14-25(26-17-38-30(40-21(26)2)28-18-35-8-9-37-28)32(46)45(31(22)42-33)24-6-11-44(12-7-24)49(3,47)48/h3-5,7-8,10-13,21-24,31H,6,9,14-20,25H2,1-2H3,(H,39,40,41);3-14,17-19,30H,15-16,20-21H2,1-2H3,(H,42,43,45);5-15,22-23,29H,16-21H2,1-4H3,(H,36,38,39);4-5,8-9,14-18,20,24,36H,6-7,10-13,19H2,1-3H3,(H,39,41,42).

What are the key properties of 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2652.14 g/mol, XLogP of 20.76, 33 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-6-phenyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159262187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).