3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate

C39H36F2N6O7 — CID 158092492

About 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate

3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate (PubChem CID 158092492) has the molecular formula C39H36F2N6O7 and a molecular weight of 738.75 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate
• PubChem CID: 158092492
• Molecular Formula: C39H36F2N6O7
• Molecular Weight: 738.75 g/mol
• Exact Mass: 738.26
• IUPAC Name: 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate
• SMILES: CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)N1CC(=O)N(C)C1.CN1Cn2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2=O)C1=O
• InChI: InChI=1S/C21H22FN3O4.C18H14FN3O3/c1-13(2)29-21(28)19-17(20(27)25-11-18(26)24(3)12-25)9-15(10-23-19)8-14-4-6-16(22)7-5-14;1-21-9-22-15(18(21)25)16(23)14-13(17(22)24)7-11(8-20-14)6-10-2-4-12(19)5-3-10/h4-7,9-10,13H,8,11-12H2,1-3H3;2-5,7-8,23H,6,9H2,1H3
• InChIKey: FOGWGXWGKLKIJS-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 155.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	738.75
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate?

The IUPAC name of 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate (CID 158092492) is 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate.

What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate?

The canonical SMILES for 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate is CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)N1CC(=O)N(C)C1.CN1Cn2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2=O)C1=O.

What is the InChIKey of 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate?

The InChIKey is FOGWGXWGKLKIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4.C18H14FN3O3/c1-13(2)29-21(28)19-17(20(27)25-11-18(26)24(3)12-25)9-15(10-23-19)8-14-4-6-16(22)7-5-14;1-21-9-22-15(18(21)25)16(23)14-13(17(22)24)7-11(8-20-14)6-10-2-4-12(19)5-3-10/h4-7,9-10,13H,8,11-12H2,1-3H3;2-5,7-8,23H,6,9H2,1H3.

What are the key properties of 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate?

3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate has a molecular weight of 738.75 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)methyl]-10-hydroxy-8-methyl-7H-imidazo[1,5-g][1,6]naphthyridine-5,9-dione;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(3-methyl-4-oxoimidazolidine-1-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 158092492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).