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

C24H24FN5O4 — CID 69482656

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1ccnc1Cn1c(=O)c(C(=O)NCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H24FN5O4/c1-29-9-8-26-19(29)14-30-18-12-16(11-15-3-5-17(25)6-4-15)13-28-21(18)22(32)20(24(30)34)23(33)27-7-2-10-31/h3-6,8-9,12-13,31-32H,2,7,10-11,14H2,1H3,(H,27,33)
InChIKeyMYGOYXHNZRWVED-UHFFFAOYSA-N
MW465.49 g/mol
LogP1.73
Rot. Bonds8

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482656) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482656
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1ccnc1Cn1c(=O)c(C(=O)NCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H24FN5O4/c1-29-9-8-26-19(29)14-30-18-12-16(11-15-3-5-17(25)6-4-15)13-28-21(18)22(32)20(24(30)34)23(33)27-7-2-10-31/h3-6,8-9,12-13,31-32H,2,7,10-11,14H2,1H3,(H,27,33)
InChIKeyMYGOYXHNZRWVED-UHFFFAOYSA-N
XLogP1.73
TPSA122.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482656) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-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-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1ccnc1Cn1c(=O)c(C(=O)NCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is MYGOYXHNZRWVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-29-9-8-26-19(29)14-30-18-12-16(11-15-3-5-17(25)6-4-15)13-28-21(18)22(32)20(24(30)34)23(33)27-7-2-10-31/h3-6,8-9,12-13,31-32H,2,7,10-11,14H2,1H3,(H,27,33).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.73, 8 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-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).