7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide

C23H22FN5O4 — CID 69482133

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482133) has the molecular formula C23H22FN5O4 and a molecular weight of 451.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482133
• Molecular Formula: C23H22FN5O4
• Molecular Weight: 451.46 g/mol
• Exact Mass: 451.17
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: Cn1ccnc1Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
• InChI: InChI=1S/C23H22FN5O4/c1-28-8-6-25-18(28)13-29-17-11-15(10-14-2-4-16(24)5-3-14)12-27-20(17)21(31)19(23(29)33)22(32)26-7-9-30/h2-6,8,11-12,30-31H,7,9-10,13H2,1H3,(H,26,32)
• InChIKey: LRAUHVPTJJHSHK-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 122.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.46
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482133) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1ccnc1Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is LRAUHVPTJJHSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O4/c1-28-8-6-25-18(28)13-29-17-11-15(10-14-2-4-16(24)5-3-14)12-27-20(17)21(31)19(23(29)33)22(32)26-7-9-30/h2-6,8,11-12,30-31H,7,9-10,13H2,1H3,(H,26,32).

What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).