8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C130H153N31O5 — CID 158745954

About 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158745954) has the molecular formula C130H153N31O5 and a molecular weight of 2229.87 g/mol. Its IUPAC name is 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158745954
• Molecular Formula: C130H153N31O5
• Molecular Weight: 2229.87 g/mol
• Exact Mass: 2228.27
• IUPAC Name: 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCC(c2ncc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCCC4)c3=O)cn2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(CCN(C)C)c2=O)ncn1C1CCCNC1.Cc1cc(C2CCNCC2)ccc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(-c2ccccc2)c1=O.Cn1cc(C2CCCCN2)nc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCOC2)c1=O
• InChI: InChI=1S/C36H38N6O.C32H36N8O.C31H41N9O.C31H38N8O2/c1-24-20-27(26-15-18-37-19-16-26)11-14-32(24)33-21-29-23-39-36(41-34(29)42(35(33)43)31-7-3-2-4-8-31)40-30-12-9-25(10-13-30)28-6-5-17-38-22-28;1-39-15-12-23(20-39)29-34-18-25(19-35-29)28-16-24-17-36-32(38-30(24)40(31(28)41)27-4-2-3-5-27)37-26-8-6-21(7-9-26)22-10-13-33-14-11-22;1-21-28(34-20-40(21)26-6-5-12-32-18-26)27-16-24-17-33-31(36-29(24)39(30(27)41)15-14-37(2)3)35-25-9-7-22(8-10-25)23-11-13-38(4)19-23;1-38-18-27(26-4-2-3-12-33-26)36-29(38)25-16-22-17-34-31(37-28(22)39(30(25)40)24-11-15-41-19-24)35-23-7-5-20(6-8-23)21-9-13-32-14-10-21/h2-4,7-14,20-21,23,26,28,37-38H,5-6,15-19,22H2,1H3,(H,39,40,41);6-10,16-19,23,27,33H,2-5,11-15,20H2,1H3,(H,36,37,38);7-10,16-17,20,23,26,32H,5-6,11-15,18-19H2,1-4H3,(H,33,35,36);5-8,16-18,21,24,26,32-33H,2-4,9-15,19H2,1H3,(H,34,35,37)
• InChIKey: IMWRZOYULYSARV-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 391.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.87
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158745954) is 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(c2ncc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCCC4)c3=O)cn2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(CCN(C)C)c2=O)ncn1C1CCCNC1.Cc1cc(C2CCNCC2)ccc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(-c2ccccc2)c1=O.Cn1cc(C2CCCCN2)nc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCOC2)c1=O.

What is the InChIKey of 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IMWRZOYULYSARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N6O.C32H36N8O.C31H41N9O.C31H38N8O2/c1-24-20-27(26-15-18-37-19-16-26)11-14-32(24)33-21-29-23-39-36(41-34(29)42(35(33)43)31-7-3-2-4-8-31)40-30-12-9-25(10-13-30)28-6-5-17-38-22-28;1-39-15-12-23(20-39)29-34-18-25(19-35-29)28-16-24-17-36-32(38-30(24)40(31(28)41)27-4-2-3-5-27)37-26-8-6-21(7-9-26)22-10-13-33-14-11-22;1-21-28(34-20-40(21)26-6-5-12-32-18-26)27-16-24-17-33-31(36-29(24)39(30(27)41)15-14-37(2)3)35-25-9-7-22(8-10-25)23-11-13-38(4)19-23;1-38-18-27(26-4-2-3-12-33-26)36-29(38)25-16-22-17-34-31(37-28(22)39(30(25)40)24-11-15-41-19-24)35-23-7-5-20(6-8-23)21-9-13-32-14-10-21/h2-4,7-14,20-21,23,26,28,37-38H,5-6,15-19,22H2,1H3,(H,39,40,41);6-10,16-19,23,27,33H,2-5,11-15,20H2,1H3,(H,36,37,38);7-10,16-17,20,23,26,32H,5-6,11-15,18-19H2,1-4H3,(H,33,35,36);5-8,16-18,21,24,26,32-33H,2-4,9-15,19H2,1H3,(H,34,35,37).

What are the key properties of 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2229.87 g/mol, XLogP of 19.13, 26 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-6-[2-(1-methylpyrrolidin-3-yl)pyrimidin-5-yl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-1-piperidin-3-ylimidazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-piperidin-4-ylphenyl)-8-phenyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158745954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).