8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

C160H176Cl2N40O6 — CID 161196345

About 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161196345) has the molecular formula C160H176Cl2N40O6 and a molecular weight of 2826.35 g/mol. Its IUPAC name is 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161196345
• Molecular Formula: C160H176Cl2N40O6
• Molecular Weight: 2826.35 g/mol
• Exact Mass: 2823.41
• IUPAC Name: 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)n1c(=O)c(-c2c(Cl)cc(-c3cccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.CN(C)CCn1c(=O)c(-c2ccc(C3=CNCN3C)cn2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5-c5cncn5C)c(=O)n(CC5CC5)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccccc5-c5nccn5C)c(=O)n(C5CCCC5)c4n3)cc2)CC1.Cc1cc(Nc2ncc3cc(-c4ccc(-c5ccn(C)c5)cc4)c(=O)n(C4CCOC4)c3n2)ccc1N1CCNCC1
• InChI: InChI=1S/C33H34Cl2N6O.C33H36N8O.C33H35N7O2.C31H38N10O.C30H33N9O/c1-20(2)41-31-24(15-26(32(41)42)30-27(34)16-23(17-28(30)35)29-8-6-14-40(29)4)18-36-33(38-31)37-25-11-9-21(10-12-25)22-7-5-13-39(3)19-22;1-38-17-19-40(20-18-38)25-13-11-24(12-14-25)36-33-35-22-23-21-29(32(42)41(30(23)37-33)26-7-3-4-8-26)27-9-5-6-10-28(27)31-34-15-16-39(31)2;1-22-17-27(7-8-30(22)39-14-11-34-12-15-39)36-33-35-19-26-18-29(32(41)40(31(26)37-33)28-10-16-42-21-28)24-5-3-23(4-6-24)25-9-13-38(2)20-25;1-39(2)13-14-41-29-22(15-26(30(41)42)27-11-6-21(16-34-27)28-19-33-20-40(28)3)17-35-31(38-29)37-24-9-7-23(8-10-24)36-25-5-4-12-32-18-25;1-36-12-9-22(10-13-36)21-5-7-24(8-6-21)34-30-33-16-23-15-25(29(40)39(27(23)35-30)18-20-3-4-20)28-32-11-14-38(28)26-17-31-19-37(26)2/h6,8-12,14-18,20,22H,5,7,13,19H2,1-4H3,(H,36,37,38);5-6,9-16,21-22,26H,3-4,7-8,17-20H2,1-2H3,(H,35,36,37);3-9,13,17-20,28,34H,10-12,14-16,21H2,1-2H3,(H,35,36,37);6-11,15-17,19,25,32-33,36H,4-5,12-14,18,20H2,1-3H3,(H,35,37,38);5-8,11,14-17,19-20,22H,3-4,9-10,12-13,18H2,1-2H3,(H,33,34,35)
• InChIKey: UUJUYVXLZZUMQI-UHFFFAOYSA-N
• XLogP: 25.72
• TPSA: 455.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 34
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2826.35
LogP ≤ 5	25.72
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 161196345) is 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2c(Cl)cc(-c3cccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.CN(C)CCn1c(=O)c(-c2ccc(C3=CNCN3C)cn2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5-c5cncn5C)c(=O)n(CC5CC5)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccccc5-c5nccn5C)c(=O)n(C5CCCC5)c4n3)cc2)CC1.Cc1cc(Nc2ncc3cc(-c4ccc(-c5ccn(C)c5)cc4)c(=O)n(C4CCOC4)c3n2)ccc1N1CCNCC1.

What is the InChIKey of 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UUJUYVXLZZUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2N6O.C33H36N8O.C33H35N7O2.C31H38N10O.C30H33N9O/c1-20(2)41-31-24(15-26(32(41)42)30-27(34)16-23(17-28(30)35)29-8-6-14-40(29)4)18-36-33(38-31)37-25-11-9-21(10-12-25)22-7-5-13-39(3)19-22;1-38-17-19-40(20-18-38)25-13-11-24(12-14-25)36-33-35-22-23-21-29(32(42)41(30(23)37-33)26-7-3-4-8-26)27-9-5-6-10-28(27)31-34-15-16-39(31)2;1-22-17-27(7-8-30(22)39-14-11-34-12-15-39)36-33-35-19-26-18-29(32(41)40(31(26)37-33)28-10-16-42-21-28)24-5-3-23(4-6-24)25-9-13-38(2)20-25;1-39(2)13-14-41-29-22(15-26(30(41)42)27-11-6-21(16-34-27)28-19-33-20-40(28)3)17-35-31(38-29)37-24-9-7-23(8-10-24)36-25-5-4-12-32-18-25;1-36-12-9-22(10-13-36)21-5-7-24(8-6-21)34-30-33-16-23-15-25(29(40)39(27(23)35-30)18-20-3-4-20)28-32-11-14-38(28)26-17-31-19-37(26)2/h6,8-12,14-18,20,22H,5,7,13,19H2,1-4H3,(H,36,37,38);5-6,9-16,21-22,26H,3-4,7-8,17-20H2,1-2H3,(H,35,36,37);3-9,13,17-20,28,34H,10-12,14-16,21H2,1-2H3,(H,35,36,37);6-11,15-17,19,25,32-33,36H,4-5,12-14,18,20H2,1-3H3,(H,35,37,38);5-8,11,14-17,19-20,22H,3-4,9-10,12-13,18H2,1-2H3,(H,33,34,35).

What are the key properties of 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2826.35 g/mol, XLogP of 25.72, 34 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-6-[2-(1-methylimidazol-2-yl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[1-(3-methylimidazol-4-yl)imidazol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-(3-methyl-1,2-dihydroimidazol-4-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[4-(1-methylpyrrol-3-yl)phenyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161196345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).