7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide

C24H24FN5O4 — CID 69482687

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2cnc[nH]2)c1=O
InChIInChI=1S/C24H24FN5O4/c1-24(2,12-31)29-22(33)19-21(32)20-18(30(23(19)34)11-17-10-26-13-28-17)8-15(9-27-20)7-14-3-5-16(25)6-4-14/h3-6,8-10,13,31-32H,7,11-12H2,1-2H3,(H,26,28)(H,29,33)
InChIKeyXYZDMJZBESVAJW-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.10
Rot. Bonds7

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482687) 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-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482687
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2cnc[nH]2)c1=O
InChIInChI=1S/C24H24FN5O4/c1-24(2,12-31)29-22(33)19-21(32)20-18(30(23(19)34)11-17-10-26-13-28-17)8-15(9-27-20)7-14-3-5-16(25)6-4-14/h3-6,8-10,13,31-32H,7,11-12H2,1-2H3,(H,26,28)(H,29,33)
InChIKeyXYZDMJZBESVAJW-UHFFFAOYSA-N
XLogP2.10
TPSA133.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482687) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CC(C)(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2cnc[nH]2)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is XYZDMJZBESVAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-24(2,12-31)29-22(33)19-21(32)20-18(30(23(19)34)11-17-10-26-13-28-17)8-15(9-27-20)7-14-3-5-16(25)6-4-14/h3-6,8-10,13,31-32H,7,11-12H2,1-2H3,(H,26,28)(H,29,33).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.10, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).