8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one

C135H140F4N36O9S3 — CID 158410655

About 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one

8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158410655) has the molecular formula C135H140F4N36O9S3 and a molecular weight of 2583.04 g/mol. Its IUPAC name is 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158410655
• Molecular Formula: C135H140F4N36O9S3
• Molecular Weight: 2583.04 g/mol
• Exact Mass: 2581.07
• IUPAC Name: 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(CCn1c(=O)c(-c2ccc(-c3cnccn3)cc2F)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21)S(C)(=O)=O.Cc1c(-c2cc3cnc(Nc4ccc(NC5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)cnn1-c1cccnc1.Cc1cnc(-c2cccnc2)nc1-c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(CC(=O)C2CCCC2)c1=O.Cc1sc(-c2ccncc2)nc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O
• InChI: InChI=1S/C35H32F3N9O.C35H37N9O2.C33H37N9O3S2.C32H34FN9O3S/c1-22-30(20-42-47(22)28-6-4-14-40-19-28)29-17-24-18-41-34(44-26-10-8-25(9-11-26)43-27-12-15-39-16-13-27)45-32(24)46(33(29)48)21-23-5-2-3-7-31(23)35(36,37)38;1-23-19-37-32(25-8-5-13-36-20-25)40-31(23)29-18-26-21-38-35(39-27-9-11-28(12-10-27)43-16-14-42(2)15-17-43)41-33(26)44(34(29)46)22-30(45)24-6-3-4-7-24;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;1-41(46(2,44)45)14-15-42-30-22(16-27(31(42)43)26-10-5-21(17-28(26)33)29-20-35-12-13-36-29)18-37-32(40-30)39-24-8-6-23(7-9-24)38-25-4-3-11-34-19-25/h2-11,14,17-20,27,39,43H,12-13,15-16,21H2,1H3,(H,41,44,45);5,8-13,18-21,24H,3-4,6-7,14-17,22H2,1-2H3,(H,38,39,41);4-9,13-14,18-19,26-27,36H,10-12,15-17,20H2,1-3H3,(H,35,37,39);5-10,12-13,16-18,20,25,34,38H,3-4,11,14-15,19H2,1-2H3,(H,37,39,40)
• InChIKey: GZGPAONNDQVMSC-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 521.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2583.04
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	9
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 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158410655) is 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one is CN(CCn1c(=O)c(-c2ccc(-c3cnccn3)cc2F)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21)S(C)(=O)=O.Cc1c(-c2cc3cnc(Nc4ccc(NC5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)cnn1-c1cccnc1.Cc1cnc(-c2cccnc2)nc1-c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(CC(=O)C2CCCC2)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-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GZGPAONNDQVMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F3N9O.C35H37N9O2.C33H37N9O3S2.C32H34FN9O3S/c1-22-30(20-42-47(22)28-6-4-14-40-19-28)29-17-24-18-41-34(44-26-10-8-25(9-11-26)43-27-12-15-39-16-13-27)45-32(24)46(33(29)48)21-23-5-2-3-7-31(23)35(36,37)38;1-23-19-37-32(25-8-5-13-36-20-25)40-31(23)29-18-26-21-38-35(39-27-9-11-28(12-10-27)43-16-14-42(2)15-17-43)41-33(26)44(34(29)46)22-30(45)24-6-3-4-7-24;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;1-41(46(2,44)45)14-15-42-30-22(16-27(31(42)43)26-10-5-21(17-28(26)33)29-20-35-12-13-36-29)18-37-32(40-30)39-24-8-6-23(7-9-24)38-25-4-3-11-34-19-25/h2-11,14,17-20,27,39,43H,12-13,15-16,21H2,1H3,(H,41,44,45);5,8-13,18-21,24H,3-4,6-7,14-17,22H2,1-2H3,(H,38,39,41);4-9,13-14,18-19,26-27,36H,10-12,15-17,20H2,1-3H3,(H,35,37,39);5-10,12-13,16-18,20,25,34,38H,3-4,11,14-15,19H2,1-2H3,(H,37,39,40).

What are the key properties of 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?

8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2583.04 g/mol, XLogP of 19.79, 34 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158410655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).