6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione

C134H114N36O19 — CID 158798727

About 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione

6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 158798727) has the molecular formula C134H114N36O19 and a molecular weight of 2532.62 g/mol. Its IUPAC name is 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

• Compound Name: 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione
• PubChem CID: 158798727
• Molecular Formula: C134H114N36O19
• Molecular Weight: 2532.62 g/mol
• Exact Mass: 2530.91
• IUPAC Name: 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione
• SMILES: C=CC(=O)N1CC(C2=NC(C#N)c3c(ncn(-c4c(C)ccc5[nH]ncc45)c3=O)N2)C1.C=CC(=O)N1CC(C2=NC(C#N)c3c(ncn(-c4cc(O)cc5ccccc45)c3=O)N2)C1.C=CC(=O)N1CC(c2nc(C(N)=O)c3c(=O)n(-c4c(C)ccc5[nH]ncc45)cnc3n2)C1.C=CC(=O)N1CC(c2nc(C(N)=O)c3c(=O)n(-c4cc(O)cc5ccccc45)cnc3n2)C1.C=CC(=O)N1CC(n2cc3c(cc2=O)C(=O)N(c2c(C)ccc4[nH]ncc24)CC3)C1.C=CC(=O)N1CC(n2cc3c(cc2=O)C(=O)N(c2cc(O)cc4ccccc24)CC3)C1
• InChI: InChI=1S/C24H21N3O4.C23H18N6O4.C23H18N6O3.C22H21N5O3.C21H18N8O3.C21H18N8O2/c1-2-22(29)25-13-17(14-25)27-12-16-7-8-26(24(31)20(16)11-23(27)30)21-10-18(28)9-15-5-3-4-6-19(15)21;1-2-17(31)28-9-13(10-28)21-26-19(20(24)32)18-22(27-21)25-11-29(23(18)33)16-8-14(30)7-12-5-3-4-6-15(12)16;1-2-19(31)28-10-14(11-28)21-26-17(9-24)20-22(27-21)25-12-29(23(20)32)18-8-15(30)7-13-5-3-4-6-16(13)18;1-3-19(28)25-11-15(12-25)27-10-14-6-7-26(22(30)16(14)8-20(27)29)21-13(2)4-5-18-17(21)9-23-24-18;1-3-14(30)28-7-11(8-28)19-25-16(18(22)31)15-20(26-19)23-9-29(21(15)32)17-10(2)4-5-13-12(17)6-24-27-13;1-3-16(30)28-8-12(9-28)19-25-15(6-22)17-20(26-19)23-10-29(21(17)31)18-11(2)4-5-14-13(18)7-24-27-14/h2-6,9-12,17,28H,1,7-8,13-14H2;2-8,11,13,30H,1,9-10H2,(H2,24,32);2-8,12,14,17,30H,1,10-11H2,(H,26,27);3-5,8-10,15H,1,6-7,11-12H2,2H3,(H,23,24);3-6,9,11H,1,7-8H2,2H3,(H2,22,31)(H,24,27);3-5,7,10,12,15H,1,8-9H2,2H3,(H,24,27)(H,25,26)
• InChIKey: ITEXJNSVSIHCCQ-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 726.87 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 20
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2532.62
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?

The IUPAC name of 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 158798727) is 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione.

What is the SMILES notation for 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?

The canonical SMILES for 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione is C=CC(=O)N1CC(C2=NC(C#N)c3c(ncn(-c4c(C)ccc5[nH]ncc45)c3=O)N2)C1.C=CC(=O)N1CC(C2=NC(C#N)c3c(ncn(-c4cc(O)cc5ccccc45)c3=O)N2)C1.C=CC(=O)N1CC(c2nc(C(N)=O)c3c(=O)n(-c4c(C)ccc5[nH]ncc45)cnc3n2)C1.C=CC(=O)N1CC(c2nc(C(N)=O)c3c(=O)n(-c4cc(O)cc5ccccc45)cnc3n2)C1.C=CC(=O)N1CC(n2cc3c(cc2=O)C(=O)N(c2c(C)ccc4[nH]ncc24)CC3)C1.C=CC(=O)N1CC(n2cc3c(cc2=O)C(=O)N(c2cc(O)cc4ccccc24)CC3)C1.

What is the InChIKey of 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?

The InChIKey is ITEXJNSVSIHCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4.C23H18N6O4.C23H18N6O3.C22H21N5O3.C21H18N8O3.C21H18N8O2/c1-2-22(29)25-13-17(14-25)27-12-16-7-8-26(24(31)20(16)11-23(27)30)21-10-18(28)9-15-5-3-4-6-19(15)21;1-2-17(31)28-9-13(10-28)21-26-19(20(24)32)18-22(27-21)25-11-29(23(18)33)16-8-14(30)7-12-5-3-4-6-15(12)16;1-2-19(31)28-10-14(11-28)21-26-17(9-24)20-22(27-21)25-12-29(23(20)32)18-8-15(30)7-13-5-3-4-6-16(13)18;1-3-19(28)25-11-15(12-25)27-10-14-6-7-26(22(30)16(14)8-20(27)29)21-13(2)4-5-18-17(21)9-23-24-18;1-3-14(30)28-7-11(8-28)19-25-16(18(22)31)15-20(26-19)23-9-29(21(15)32)17-10(2)4-5-13-12(17)6-24-27-13;1-3-16(30)28-8-12(9-28)19-25-15(6-22)17-20(26-19)23-10-29(21(17)31)18-11(2)4-5-14-13(18)7-24-27-14/h2-6,9-12,17,28H,1,7-8,13-14H2;2-8,11,13,30H,1,9-10H2,(H2,24,32);2-8,12,14,17,30H,1,10-11H2,(H,26,27);3-5,8-10,15H,1,6-7,11-12H2,2H3,(H,23,24);3-6,9,11H,1,7-8H2,2H3,(H2,22,31)(H,24,27);3-5,7,10,12,15H,1,8-9H2,2H3,(H,24,27)(H,25,26).

What are the key properties of 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?

6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 2532.62 g/mol, XLogP of 9.68, 20 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydropyrimido[4,5-d]pyrimidine-4-carbonitrile;6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 158798727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).