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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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

C93H113N25O4 — CID 159988157

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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 (PubChem CID 159988157) has the molecular formula C93H113N25O4 and a molecular weight of 1645.10 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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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.

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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
• PubChem CID: 159988157
• Molecular Formula: C93H113N25O4
• Molecular Weight: 1645.10 g/mol
• Exact Mass: 1643.94
• 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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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
• SMILES: CN(C)CCn1c(=O)c(-c2cn(C3CCCNC3)cn2)cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc21.CN1CCC(c2ncc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCCC4)c3=O)cn2)C1.Cn1cc(C2CCCCN2)nc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCOC2)c1=O
• InChI: InChI=1S/C32H36N8O.C31H38N8O2.C30H39N9O/c1-39-15-12-23(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;1-38-18-27(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;1-36(2)13-14-39-28-23(15-26(29(39)40)27-19-38(20-33-27)25-5-4-11-31-17-25)16-32-30(35-28)34-24-8-6-21(7-9-24)22-10-12-37(3)18-22/h6-10,16-19,23,27,33H,2-5,11-15,20H2,1H3,(H,36,37,38);5-8,16-18,21,24,26,32-33H,2-4,9-15,19H2,1H3,(H,34,35,37);6-9,15-16,19-20,22,25,31H,4-5,10-14,17-18H2,1-3H3,(H,32,34,35)
• InChIKey: OGPHBMKDQBSNAS-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 307.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.10
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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?

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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 (CID 159988157) 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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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.

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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?

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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 is CN(C)CCn1c(=O)c(-c2cn(C3CCCNC3)cn2)cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc21.CN1CCC(c2ncc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCCC4)c3=O)cn2)C1.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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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?

The InChIKey is OGPHBMKDQBSNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O.C31H38N8O2.C30H39N9O/c1-39-15-12-23(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;1-38-18-27(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;1-36(2)13-14-39-28-23(15-26(29(39)40)27-19-38(20-33-27)25-5-4-11-31-17-25)16-32-30(35-28)34-24-8-6-21(7-9-24)22-10-12-37(3)18-22/h6-10,16-19,23,27,33H,2-5,11-15,20H2,1H3,(H,36,37,38);5-8,16-18,21,24,26,32-33H,2-4,9-15,19H2,1H3,(H,34,35,37);6-9,15-16,19-20,22,25,31H,4-5,10-14,17-18H2,1-3H3,(H,32,34,35).

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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?

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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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 has a molecular weight of 1645.10 g/mol, XLogP of 12.39, 20 rotatable bonds, 7 hydrogen bond donors, and 29 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]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-(1-piperidin-3-ylimidazol-4-yl)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 is sourced from PubChem (CID 159988157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).