6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine

C168H168Cl4N32O8S — CID 158804767

About 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine

6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 158804767) has the molecular formula C168H168Cl4N32O8S and a molecular weight of 2937.29 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine
• PubChem CID: 158804767
• Molecular Formula: C168H168Cl4N32O8S
• Molecular Weight: 2937.29 g/mol
• Exact Mass: 2933.22
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine
• SMILES: C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1CNc2ccccc2C1.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(C3C(=O)c4ccccc4OC3(C)C)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3COc4ccccc4C3)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CSc4ccccc4C3)c2=O)c(Cl)c1
• InChI: InChI=1S/C36H36ClN7O2.C36H35ClN6O3.C34H33ClN6O2.C34H33ClN6OS.C28H31N7/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;1-22-9-14-26(29(37)19-22)28-20-23-21-38-35(39-24-10-12-25(13-11-24)42-17-15-41(4)16-18-42)40-33(23)43(34(28)45)32-31(44)27-7-5-6-8-30(27)46-36(32,2)3;2*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;1-20-7-8-22-18-30-28(31-23-9-11-24(12-10-23)34-15-13-33(2)14-16-34)32-27(22)35(20)25-17-21-5-3-4-6-26(21)29-19-25/h5-14,19-21,32,41H,15-18H2,1-4H3,(H,38,39,40);5-14,19-21,32H,15-18H2,1-4H3,(H,38,39,40);2*3-12,17,19-20,27H,13-16,18,21H2,1-2H3,(H,36,37,38);3-12,18,25,29H,1,13-17,19H2,2H3,(H,30,31,32)
• InChIKey: ITXZNKXLNIHLDF-UHFFFAOYSA-N
• XLogP: 30.31
• TPSA: 389.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2937.29
LogP ≤ 5	30.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

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-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine (CID 158804767) is 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine is C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1CNc2ccccc2C1.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(C3C(=O)c4ccccc4OC3(C)C)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3COc4ccccc4C3)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CSc4ccccc4C3)c2=O)c(Cl)c1.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine?

The InChIKey is ITXZNKXLNIHLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36ClN7O2.C36H35ClN6O3.C34H33ClN6O2.C34H33ClN6OS.C28H31N7/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;1-22-9-14-26(29(37)19-22)28-20-23-21-38-35(39-24-10-12-25(13-11-24)42-17-15-41(4)16-18-42)40-33(23)43(34(28)45)32-31(44)27-7-5-6-8-30(27)46-36(32,2)3;2*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;1-20-7-8-22-18-30-28(31-23-9-11-24(12-10-23)34-15-13-33(2)14-16-34)32-27(22)35(20)25-17-21-5-3-4-6-26(21)29-19-25/h5-14,19-21,32,41H,15-18H2,1-4H3,(H,38,39,40);5-14,19-21,32H,15-18H2,1-4H3,(H,38,39,40);2*3-12,17,19-20,27H,13-16,18,21H2,1-2H3,(H,36,37,38);3-12,18,25,29H,1,13-17,19H2,2H3,(H,30,31,32).

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine?

6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 2937.29 g/mol, XLogP of 30.31, 24 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]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-3H-chromen-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;7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158804767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).