6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C137H129Cl4N25O5S — CID 160630830

About 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160630830) has the molecular formula C137H129Cl4N25O5S and a molecular weight of 2379.59 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160630830
• Molecular Formula: C137H129Cl4N25O5S
• Molecular Weight: 2379.59 g/mol
• Exact Mass: 2375.91
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CC(n2c(=O)c(-c3ccccc3Cl)cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc32)Cc2ccccc21.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3C(=O)c4ccccc4NC3(C)C)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CSc4ccccc4C3)c2=O)c(Cl)c1.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n1C1CNc2ccccc2C1
• InChI: InChI=1S/C36H36ClN7O2.C34H33ClN6OS.C34H31ClN6O.C33H29ClN6O/c1-22-9-14-26(29(37)19-22)28-20-23-21-38-35(39-24-10-12-25(13-11-24)43-17-15-42(4)16-18-43)40-33(23)44(34(28)46)32-31(45)27-7-5-6-8-30(27)41-36(32,2)3;1-22-7-12-28(30(35)17-22)29-19-24-20-36-34(37-25-8-10-26(11-9-25)40-15-13-39(2)14-16-40)38-32(24)41(33(29)42)27-18-23-5-3-4-6-31(23)43-21-27;1-40-21-27(18-24-6-2-5-9-31(24)40)41-32-25(19-29(33(41)42)28-7-3-4-8-30(28)35)20-37-34(39-32)38-26-12-10-22(11-13-26)23-14-16-36-17-15-23;34-29-7-3-2-6-27(29)28-18-24-19-37-33(38-25-11-9-21(10-12-25)22-13-15-35-16-14-22)39-31(24)40(32(28)41)26-17-23-5-1-4-8-30(23)36-20-26/h5-14,19-21,32,41H,15-18H2,1-4H3,(H,38,39,40);3-12,17,19-20,27H,13-16,18,21H2,1-2H3,(H,36,37,38);2-14,19-20,27,36H,15-18,21H2,1H3,(H,37,38,39);1-13,18-19,26,35-36H,14-17,20H2,(H,37,38,39)
• InChIKey: RHXDJFLLSXYAEW-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 320.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.59
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 160630830) is 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is CN1CC(n2c(=O)c(-c3ccccc3Cl)cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc32)Cc2ccccc21.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3C(=O)c4ccccc4NC3(C)C)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CSc4ccccc4C3)c2=O)c(Cl)c1.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n1C1CNc2ccccc2C1.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is RHXDJFLLSXYAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36ClN7O2.C34H33ClN6OS.C34H31ClN6O.C33H29ClN6O/c1-22-9-14-26(29(37)19-22)28-20-23-21-38-35(39-24-10-12-25(13-11-24)43-17-15-42(4)16-18-43)40-33(23)44(34(28)46)32-31(45)27-7-5-6-8-30(27)41-36(32,2)3;1-22-7-12-28(30(35)17-22)29-19-24-20-36-34(37-25-8-10-26(11-9-25)40-15-13-39(2)14-16-40)38-32(24)41(33(29)42)27-18-23-5-3-4-6-31(23)43-21-27;1-40-21-27(18-24-6-2-5-9-31(24)40)41-32-25(19-29(33(41)42)28-7-3-4-8-30(28)35)20-37-34(39-32)38-26-12-10-22(11-13-26)23-14-16-36-17-15-23;34-29-7-3-2-6-27(29)28-18-24-19-37-33(38-25-11-9-21(10-12-25)22-13-15-35-16-14-22)39-31(24)40(32(28)41)26-17-23-5-1-4-8-30(23)36-20-26/h5-14,19-21,32,41H,15-18H2,1-4H3,(H,38,39,40);3-12,17,19-20,27H,13-16,18,21H2,1-2H3,(H,36,37,38);2-14,19-20,27,36H,15-18,21H2,1H3,(H,37,38,39);1-13,18-19,26,35-36H,14-17,20H2,(H,37,38,39).

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2379.59 g/mol, XLogP of 26.26, 20 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160630830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).