6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one

C121H128FN27O7S — CID 159311534

About 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one

6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159311534) has the molecular formula C121H128FN27O7S and a molecular weight of 2123.60 g/mol. Its IUPAC name is 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159311534
• Molecular Formula: C121H128FN27O7S
• Molecular Weight: 2123.60 g/mol
• Exact Mass: 2122.02
• IUPAC Name: 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.C=C1C=Cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2N1C1CSc2ccccc2C1.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(C5Cc6ccccc6C(=O)N5C)c4n3)cc2)C1
• InChI: InChI=1S/C32H35N7O2.C31H35N7O3.C31H31N7O2.C27H27FN6S/c1-37-15-5-7-25(19-37)34-23-11-13-24(14-12-23)35-32-33-18-22-16-27(20-9-10-20)31(41)39(29(22)36-32)28-17-21-6-3-4-8-26(21)30(40)38(28)2;1-4-41-27-18-21-19-32-31(34-23-11-9-22(10-12-23)33-24-13-15-36(2)16-14-24)35-28(21)38(30(27)40)26-17-20-7-5-6-8-25(20)37(3)29(26)39;1-4-20-17-21-18-33-31(34-22-9-11-23(12-10-22)37(3)24-13-15-32-16-14-24)35-29(21)38(30(20)40)27-19-36(2)26-8-6-5-7-25(26)28(27)39;1-18-6-7-20-16-30-27(31-21-8-9-24(23(28)15-21)33-12-10-29-11-13-33)32-26(20)34(18)22-14-19-4-2-3-5-25(19)35-17-22/h3-4,6,8,11-14,16,18,20,25,28,34H,5,7,9-10,15,17,19H2,1-2H3,(H,33,35,36);5-12,18-19,24,26,33H,4,13-17H2,1-3H3,(H,32,34,35);1,5-12,17-18,24,27,32H,13-16,19H2,2-3H3,(H,33,34,35);2-9,15-16,22,29H,1,10-14,17H2,(H,30,31,32)
• InChIKey: LCPNTEVHWWVNJO-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 351.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.60
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159311534) is 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.C=C1C=Cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2N1C1CSc2ccccc2C1.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(C5Cc6ccccc6C(=O)N5C)c4n3)cc2)C1.

What is the InChIKey of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LCPNTEVHWWVNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O2.C31H35N7O3.C31H31N7O2.C27H27FN6S/c1-37-15-5-7-25(19-37)34-23-11-13-24(14-12-23)35-32-33-18-22-16-27(20-9-10-20)31(41)39(29(22)36-32)28-17-21-6-3-4-8-26(21)30(40)38(28)2;1-4-41-27-18-21-19-32-31(34-23-11-9-22(10-12-23)33-24-13-15-36(2)16-14-24)35-28(21)38(30(27)40)26-17-20-7-5-6-8-25(20)37(3)29(26)39;1-4-20-17-21-18-33-31(34-22-9-11-23(12-10-22)37(3)24-13-15-32-16-14-24)35-29(21)38(30(20)40)27-19-36(2)26-8-6-5-7-25(26)28(27)39;1-18-6-7-20-16-30-27(31-21-8-9-24(23(28)15-21)33-12-10-29-11-13-33)32-26(20)34(18)22-14-19-4-2-3-5-25(19)35-17-22/h3-4,6,8,11-14,16,18,20,25,28,34H,5,7,9-10,15,17,19H2,1-2H3,(H,33,35,36);5-12,18-19,24,26,33H,4,13-17H2,1-3H3,(H,32,34,35);1,5-12,17-18,24,27,32H,13-16,19H2,2-3H3,(H,33,34,35);2-9,15-16,22,29H,1,10-14,17H2,(H,30,31,32).

What are the key properties of 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one?

6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2123.60 g/mol, XLogP of 17.36, 22 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;6-ethoxy-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159311534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).