6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione

C136H118N32O19 — CID 158667705

About 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione

6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione (PubChem CID 158667705) has the molecular formula C136H118N32O19 and a molecular weight of 2504.64 g/mol. Its IUPAC name is 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione.

Molecular Properties

• Compound Name: 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione
• PubChem CID: 158667705
• Molecular Formula: C136H118N32O19
• Molecular Weight: 2504.64 g/mol
• Exact Mass: 2502.93
• IUPAC Name: 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione
• SMILES: C=CC(=O)N1CC(c2nc(C#N)c3c(=O)n(-c4c(C)ccc5[nH]ncc45)cnc3n2)C1.C=CC(=O)N1CC(c2nc(C#N)c3c(=O)n(-c4cc(O)cc5ccccc45)cnc3n2)C1.C=CC(=O)N1CC(c2nc3c(c(=O)n2C)C(=O)N(c2c(C)ccc4[nH]ncc24)CC3)C1.C=CC(=O)N1CC(c2nc3c(c(=O)n2C)C(=O)N(c2cc(O)cc4ccccc24)CC3)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/C24H22N4O4.C24H21N3O4.C23H16N6O3.C22H22N6O3.C22H21N5O3.C21H16N8O2/c1-3-20(30)27-12-15(13-27)22-25-18-8-9-28(24(32)21(18)23(31)26(22)2)19-11-16(29)10-14-6-4-5-7-17(14)19;1-2-22(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;1-2-19(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;1-4-17(29)27-10-13(11-27)20-24-16-7-8-28(22(31)18(16)21(30)26(20)3)19-12(2)5-6-15-14(19)9-23-25-15;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;1-3-16(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/h3-7,10-11,15,29H,1,8-9,12-13H2,2H3;2-6,9-12,17,28H,1,7-8,13-14H2;2-8,12,14,30H,1,10-11H2;4-6,9,13H,1,7-8,10-11H2,2-3H3,(H,23,25);3-5,8-10,15H,1,6-7,11-12H2,2H3,(H,23,24);3-5,7,10,12H,1,8-9H2,2H3,(H,24,27)
• InChIKey: IDOJWRKSUFXVCK-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 632.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2504.64
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

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)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione?

The IUPAC name of 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione (CID 158667705) is 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione.

What is the SMILES notation for 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione?

The canonical SMILES for 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione is C=CC(=O)N1CC(c2nc(C#N)c3c(=O)n(-c4c(C)ccc5[nH]ncc45)cnc3n2)C1.C=CC(=O)N1CC(c2nc(C#N)c3c(=O)n(-c4cc(O)cc5ccccc45)cnc3n2)C1.C=CC(=O)N1CC(c2nc3c(c(=O)n2C)C(=O)N(c2c(C)ccc4[nH]ncc24)CC3)C1.C=CC(=O)N1CC(c2nc3c(c(=O)n2C)C(=O)N(c2cc(O)cc4ccccc24)CC3)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)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione?

The InChIKey is IDOJWRKSUFXVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4.C24H21N3O4.C23H16N6O3.C22H22N6O3.C22H21N5O3.C21H16N8O2/c1-3-20(30)27-12-15(13-27)22-25-18-8-9-28(24(32)21(18)23(31)26(22)2)19-11-16(29)10-14-6-4-5-7-17(14)19;1-2-22(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;1-2-19(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;1-4-17(29)27-10-13(11-27)20-24-16-7-8-28(22(31)18(16)21(30)26(20)3)19-12(2)5-6-15-14(19)9-23-25-15;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;1-3-16(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/h3-7,10-11,15,29H,1,8-9,12-13H2,2H3;2-6,9-12,17,28H,1,7-8,13-14H2;2-8,12,14,30H,1,10-11H2;4-6,9,13H,1,7-8,10-11H2,2-3H3,(H,23,25);3-5,8-10,15H,1,6-7,11-12H2,2H3,(H,23,24);3-5,7,10,12H,1,8-9H2,2H3,(H,24,27).

What are the key properties of 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione?

6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione has a molecular weight of 2504.64 g/mol, XLogP of 10.88, 18 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-hydroxynaphthalen-1-yl)-3-methyl-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione;6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile;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)pyrimido[4,5-d]pyrimidine-4-carbonitrile;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione;3-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 158667705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).