6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C125H132N26O9 — CID 157293255

About 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157293255) has the molecular formula C125H132N26O9 and a molecular weight of 2142.60 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157293255
• Molecular Formula: C125H132N26O9
• Molecular Weight: 2142.60 g/mol
• Exact Mass: 2141.07
• IUPAC Name: 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2CNc3ccccc3C2=O)c1=O)C(C)C.CCOc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O.CN1CCCC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(C5CC(=O)c6ccccc6C5)c4n3)cc2)C1
• InChI: InChI=1S/C32H33N7O2.C32H35N7O2.C32H33N5O2.C29H31N7O3/c1-20(21-7-8-21)27-17-23-19-33-32(34-24-9-11-25(12-10-24)38-15-13-37(2)14-16-38)36-29(23)39(31(27)41)28-18-22-5-3-4-6-26(22)30(40)35-28;1-19(2)21(4)25-16-22-17-35-32(36-23-9-10-27(20(3)15-23)38-13-11-33-12-14-38)37-30(22)39(31(25)41)28-18-34-26-8-6-5-7-24(26)29(28)40;1-36-14-4-6-23(19-36)20-10-12-25(13-11-20)34-32-33-18-24-16-28(21-8-9-21)31(39)37(30(24)35-32)26-15-22-5-2-3-7-27(22)29(38)17-26;1-3-39-25-17-20-18-30-29(31-21-8-10-22(11-9-21)35-14-12-34(2)13-15-35)33-26(20)36(28(25)38)24-16-19-6-4-5-7-23(19)32-27(24)37/h3-6,9-12,17,19,21,28H,1,7-8,13-16,18H2,2H3,(H,35,40)(H,33,34,36);5-10,15-17,19,28,33-34H,4,11-14,18H2,1-3H3,(H,35,36,37);2-3,5,7,10-13,16,18,21,23,26H,4,6,8-9,14-15,17,19H2,1H3,(H,33,34,35);4-11,17-18,24H,3,12-16H2,1-2H3,(H,32,37)(H,30,31,33)
• InChIKey: BBAYCBFSXYKVDF-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 384.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.60
LogP ≤ 5	17.98
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'}

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 157293255) is 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2CNc3ccccc3C2=O)c1=O)C(C)C.CCOc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O.CN1CCCC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(C5CC(=O)c6ccccc6C5)c4n3)cc2)C1.

What is the InChIKey of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BBAYCBFSXYKVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O2.C32H35N7O2.C32H33N5O2.C29H31N7O3/c1-20(21-7-8-21)27-17-23-19-33-32(34-24-9-11-25(12-10-24)38-15-13-37(2)14-16-38)36-29(23)39(31(27)41)28-18-22-5-3-4-6-26(22)30(40)35-28;1-19(2)21(4)25-16-22-17-35-32(36-23-9-10-27(20(3)15-23)38-13-11-33-12-14-38)37-30(22)39(31(25)41)28-18-34-26-8-6-5-7-24(26)29(28)40;1-36-14-4-6-23(19-36)20-10-12-25(13-11-20)34-32-33-18-24-16-28(21-8-9-21)31(39)37(30(24)35-32)26-15-22-5-2-3-7-27(22)29(38)17-26;1-3-39-25-17-20-18-30-29(31-21-8-10-22(11-9-21)35-14-12-34(2)13-15-35)33-26(20)36(28(25)38)24-16-19-6-4-5-7-23(19)32-27(24)37/h3-6,9-12,17,19,21,28H,1,7-8,13-16,18H2,2H3,(H,35,40)(H,33,34,36);5-10,15-17,19,28,33-34H,4,11-14,18H2,1-3H3,(H,35,36,37);2-3,5,7,10-13,16,18,21,23,26H,4,6,8-9,14-15,17,19H2,1H3,(H,33,34,35);4-11,17-18,24H,3,12-16H2,1-2H3,(H,32,37)(H,30,31,33).

What are the key properties of 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2142.60 g/mol, XLogP of 17.98, 23 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157293255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).