sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate

C23H21FN5NaO4 — CID 69482132

IUPACsodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate
SMILESCn1ccnc1Cn1c(=O)c(C(=O)NCCO)c([O-])c2ncc(Cc3ccc(F)cc3)cc21.[Na+]
InChIInChI=1S/C23H22FN5O4.Na/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);/q;+1/p-1
InChIKeyINSNKRAKNDNZLB-UHFFFAOYSA-M
MW473.44 g/mol
LogP-2.29
Rot. Bonds7

About sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate

sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate (PubChem CID 69482132) has the molecular formula C23H21FN5NaO4 and a molecular weight of 473.44 g/mol. Its IUPAC name is sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate.

Molecular Properties

Compound Namesodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate
PubChem CID69482132
Molecular FormulaC23H21FN5NaO4
Molecular Weight473.44 g/mol
Exact Mass473.15
IUPAC Namesodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate
SMILESCn1ccnc1Cn1c(=O)c(C(=O)NCCO)c([O-])c2ncc(Cc3ccc(F)cc3)cc21.[Na+]
InChIInChI=1S/C23H22FN5O4.Na/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);/q;+1/p-1
InChIKeyINSNKRAKNDNZLB-UHFFFAOYSA-M
XLogP-2.29
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate?
The IUPAC name of sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate (CID 69482132) is sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate.
What is the SMILES notation for sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate?
The canonical SMILES for sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate is Cn1ccnc1Cn1c(=O)c(C(=O)NCCO)c([O-])c2ncc(Cc3ccc(F)cc3)cc21.[Na+].
What is the InChIKey of sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate?
The InChIKey is INSNKRAKNDNZLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22FN5O4.Na/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);/q;+1/p-1.
What are the key properties of sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate?
sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate has a molecular weight of 473.44 g/mol, XLogP of -2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylcarbamoyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridin-4-olate is sourced from PubChem (CID 69482132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).