6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C125H132N24O9 — CID 161377617

About 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161377617) has the molecular formula C125H132N24O9 and a molecular weight of 2114.59 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161377617
• Molecular Formula: C125H132N24O9
• Molecular Weight: 2114.59 g/mol
• Exact Mass: 2113.06
• IUPAC Name: 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CC(=O)c3ccccc3C2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(C2CCc3ccccc3C2=O)c1=O
• InChI: InChI=1S/C33H33N5O2.C31H33N7O2.C31H35N7O2.C30H31N5O3/c1-20(21-8-9-21)29-16-25-19-35-33(36-26-12-10-22(11-13-26)24-6-4-14-34-18-24)37-31(25)38(32(29)40)27-15-23-5-2-3-7-28(23)30(39)17-27;1-19(2)20(3)25-16-22-18-33-31(34-23-8-10-24(11-9-23)37-14-12-32-13-15-37)36-28(22)38(30(25)40)27-17-21-6-4-5-7-26(21)35-29(27)39;1-3-19(4-2)26-15-21-17-33-31(35-23-11-9-22(10-12-23)34-24-13-14-32-18-24)37-28(21)38(30(26)40)27-16-20-7-5-6-8-25(20)29(39)36-27;1-3-38-26-16-22-17-31-30(32-23-11-8-19(9-12-23)21-14-15-34(2)18-21)33-28(22)35(29(26)37)25-13-10-20-6-4-5-7-24(20)27(25)36/h2-3,5,7,10-13,16,19,21,24,27,34H,1,4,6,8-9,14-15,17-18H2,(H,35,36,37);4-11,16,18-19,27,32H,3,12-15,17H2,1-2H3,(H,35,39)(H,33,34,36);5-12,15,17,19,24,27,32,34H,3-4,13-14,16,18H2,1-2H3,(H,36,39)(H,33,35,37);4-9,11-12,16-17,21,25H,3,10,13-15,18H2,1-2H3,(H,31,32,33)
• InChIKey: VRGZVKLSLMIVNZ-UHFFFAOYSA-N
• XLogP: 19.57
• TPSA: 395.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.59
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	10
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-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161377617) is 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CC(=O)c3ccccc3C2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(C2CCc3ccccc3C2=O)c1=O.

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

The InChIKey is VRGZVKLSLMIVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O2.C31H33N7O2.C31H35N7O2.C30H31N5O3/c1-20(21-8-9-21)29-16-25-19-35-33(36-26-12-10-22(11-13-26)24-6-4-14-34-18-24)37-31(25)38(32(29)40)27-15-23-5-2-3-7-28(23)30(39)17-27;1-19(2)20(3)25-16-22-18-33-31(34-23-8-10-24(11-9-23)37-14-12-32-13-15-37)36-28(22)38(30(25)40)27-17-21-6-4-5-7-26(21)35-29(27)39;1-3-19(4-2)26-15-21-17-33-31(35-23-11-9-22(10-12-23)34-24-13-14-32-18-24)37-28(21)38(30(26)40)27-16-20-7-5-6-8-25(20)29(39)36-27;1-3-38-26-16-22-17-31-30(32-23-11-8-19(9-12-23)21-14-15-34(2)18-21)33-28(22)35(29(26)37)25-13-10-20-6-4-5-7-24(20)27(25)36/h2-3,5,7,10-13,16,19,21,24,27,34H,1,4,6,8-9,14-15,17-18H2,(H,35,36,37);4-11,16,18-19,27,32H,3,12-15,17H2,1-2H3,(H,35,39)(H,33,34,36);5-12,15,17,19,24,27,32,34H,3-4,13-14,16,18H2,1-2H3,(H,36,39)(H,33,35,37);4-9,11-12,16-17,21,25H,3,10,13-15,18H2,1-2H3,(H,31,32,33).

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

6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2114.59 g/mol, XLogP of 19.57, 26 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161377617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).