6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C134H138Cl2F6N28O11S2 — CID 158786766

About 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158786766) has the molecular formula C134H138Cl2F6N28O11S2 and a molecular weight of 2565.79 g/mol. Its IUPAC name is 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158786766
• Molecular Formula: C134H138Cl2F6N28O11S2
• Molecular Weight: 2565.79 g/mol
• Exact Mass: 2562.98
• IUPAC Name: 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21)S(C)(=O)=O.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCN6)cc5C(F)(F)F)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(CCN3CCOCC3)c2=O)c(-c2cocn2)c1.O=c1c(-c2ncc(C3CCCC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ccccc1C(F)(F)F
• InChI: InChI=1S/C36H34ClF3N6O.C35H40F3N7O3S.C33H35N7O3.C30H29ClN8O4S/c37-31-18-26(22-5-1-2-6-22)19-42-32(31)29-17-27-20-43-35(44-28-11-9-23(10-12-28)24-13-15-41-16-14-24)45-33(27)46(34(29)47)21-25-7-3-4-8-30(25)36(38,39)40;1-43-15-11-24(21-43)22-5-8-26(9-6-22)41-34-40-20-25-18-29(28-10-7-23(31-4-3-14-39-31)19-30(28)35(36,37)38)33(46)45(32(25)42-34)27-12-16-44(17-13-27)49(2,47)48;1-22-2-7-27(28(16-22)30-20-43-21-36-30)29-17-25-19-35-33(37-26-5-3-23(4-6-26)24-8-9-34-18-24)38-31(25)40(32(29)41)11-10-39-12-14-42-15-13-39;1-38(44(2,41)42)13-14-39-27-22(15-25(29(39)40)24-8-5-21(16-26(24)31)28-37-34-18-43-28)17-33-30(36-27)35-23-6-3-19(4-7-23)20-9-11-32-12-10-20/h3-4,7-12,17-20,22,24,41H,1-2,5-6,13-16,21H2,(H,43,44,45);5-10,18-20,24,27,31,39H,3-4,11-17,21H2,1-2H3,(H,40,41,42);2-7,16-17,19-21,24,34H,8-15,18H2,1H3,(H,35,37,38);3-9,15-18,32H,10-14H2,1-2H3,(H,33,35,36)
• InChIKey: IRTXASZAQMCNDQ-UHFFFAOYSA-N
• XLogP: 22.85
• TPSA: 455.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.79
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 158786766) is 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CN(CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21)S(C)(=O)=O.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCN6)cc5C(F)(F)F)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(CCN3CCOCC3)c2=O)c(-c2cocn2)c1.O=c1c(-c2ncc(C3CCCC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1ccccc1C(F)(F)F.

What is the InChIKey of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IRTXASZAQMCNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34ClF3N6O.C35H40F3N7O3S.C33H35N7O3.C30H29ClN8O4S/c37-31-18-26(22-5-1-2-6-22)19-42-32(31)29-17-27-20-43-35(44-28-11-9-23(10-12-28)24-13-15-41-16-14-24)45-33(27)46(34(29)47)21-25-7-3-4-8-30(25)36(38,39)40;1-43-15-11-24(21-43)22-5-8-26(9-6-22)41-34-40-20-25-18-29(28-10-7-23(31-4-3-14-39-31)19-30(28)35(36,37)38)33(46)45(32(25)42-34)27-12-16-44(17-13-27)49(2,47)48;1-22-2-7-27(28(16-22)30-20-43-21-36-30)29-17-25-19-35-33(37-26-5-3-23(4-6-26)24-8-9-34-18-24)38-31(25)40(32(29)41)11-10-39-12-14-42-15-13-39;1-38(44(2,41)42)13-14-39-27-22(15-25(29(39)40)24-8-5-21(16-26(24)31)28-37-34-18-43-28)17-33-30(36-27)35-23-6-3-19(4-7-23)20-9-11-32-12-10-20/h3-4,7-12,17-20,22,24,41H,1-2,5-6,13-16,21H2,(H,43,44,45);5-10,18-20,24,27,31,39H,3-4,11-17,21H2,1-2H3,(H,40,41,42);2-7,16-17,19-21,24,34H,8-15,18H2,1H3,(H,35,37,38);3-9,15-18,32H,10-14H2,1-2H3,(H,33,35,36).

What are the key properties of 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2565.79 g/mol, XLogP of 22.85, 31 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloro-5-cyclopentyl-2-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)-6-[4-pyrrolidin-2-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158786766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).