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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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

C126H151N31O5 — CID 159617405

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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 (PubChem CID 159617405) has the molecular formula C126H151N31O5 and a molecular weight of 2179.81 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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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.

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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
• PubChem CID: 159617405
• Molecular Formula: C126H151N31O5
• Molecular Weight: 2179.81 g/mol
• Exact Mass: 2178.25
• 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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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
• SMILES: CC1=C(c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(CCN(C)C)c2=O)N=CC1C1CCCNC1.CN1CCC(c2ncc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCCC4)c3=O)cn2)C1.CN1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(CC3CC3)c2=O)nc1.Cn1cc(C2CCCCN2)nc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCOC2)c1=O
• InChI: InChI=1S/C32H36N8O.C32H42N8O.C31H38N8O2.C31H35N7O/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;1-21-28(23-6-5-12-33-17-23)19-34-29(21)27-16-25-18-35-32(37-30(25)40(31(27)41)15-14-38(2)3)36-26-9-7-22(8-10-26)24-11-13-39(4)20-24;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;1-37-14-2-3-28(37)23-8-11-27(33-17-23)26-15-24-18-34-31(36-29(24)38(30(26)39)19-20-4-5-20)35-25-9-6-21(7-10-25)22-12-13-32-16-22/h6-10,16-19,23,27,33H,2-5,11-15,20H2,1H3,(H,36,37,38);7-10,16,18-19,23-24,28,33H,5-6,11-15,17,20H2,1-4H3,(H,35,36,37);5-8,16-18,21,24,26,32-33H,2-4,9-15,19H2,1H3,(H,34,35,37);6-11,15,17-18,20,22,28,32H,2-5,12-14,16,19H2,1H3,(H,34,35,36)
• InChIKey: MNLLLSCDJFCIEH-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 390.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2179.81
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	9
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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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?

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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 (CID 159617405) 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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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.

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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?

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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 is CC1=C(c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(CCN(C)C)c2=O)N=CC1C1CCCNC1.CN1CCC(c2ncc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCCC4)c3=O)cn2)C1.CN1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(CC3CC3)c2=O)nc1.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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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?

The InChIKey is MNLLLSCDJFCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O.C32H42N8O.C31H38N8O2.C31H35N7O/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;1-21-28(23-6-5-12-33-17-23)19-34-29(21)27-16-25-18-35-32(37-30(25)40(31(27)41)15-14-38(2)3)36-26-9-7-22(8-10-26)24-11-13-39(4)20-24;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;1-37-14-2-3-28(37)23-8-11-27(33-17-23)26-15-24-18-34-31(36-29(24)38(30(26)39)19-20-4-5-20)35-25-9-6-21(7-10-25)22-12-13-32-16-22/h6-10,16-19,23,27,33H,2-5,11-15,20H2,1H3,(H,36,37,38);7-10,16,18-19,23-24,28,33H,5-6,11-15,17,20H2,1-4H3,(H,35,36,37);5-8,16-18,21,24,26,32-33H,2-4,9-15,19H2,1H3,(H,34,35,37);6-11,15,17-18,20,22,28,32H,2-5,12-14,16,19H2,1H3,(H,34,35,36).

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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?

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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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 has a molecular weight of 2179.81 g/mol, XLogP of 17.88, 27 rotatable bonds, 9 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-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(4-methyl-3-piperidin-3-yl-3H-pyrrol-5-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 is sourced from PubChem (CID 159617405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).