3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid

C25H21FN2O4 — CID 23149768

IUPAC3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESCC(O)c1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C25H21FN2O4/c1-15(29)21-20-12-18(11-16-7-9-19(26)10-8-16)13-27-22(20)24(23(28-21)25(30)31)32-14-17-5-3-2-4-6-17/h2-10,12-13,15,29H,11,14H2,1H3,(H,30,31)
InChIKeyFIAJBTLNPGZTQK-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.69
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid

3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 23149768) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID23149768
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Name3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESCC(O)c1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C25H21FN2O4/c1-15(29)21-20-12-18(11-16-7-9-19(26)10-8-16)13-27-22(20)24(23(28-21)25(30)31)32-14-17-5-3-2-4-6-17/h2-10,12-13,15,29H,11,14H2,1H3,(H,30,31)
InChIKeyFIAJBTLNPGZTQK-UHFFFAOYSA-N
XLogP4.69
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (CID 23149768) is 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is CC(O)c1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is FIAJBTLNPGZTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-15(29)21-20-12-18(11-16-7-9-19(26)10-8-16)13-27-22(20)24(23(28-21)25(30)31)32-14-17-5-3-2-4-6-17/h2-10,12-13,15,29H,11,14H2,1H3,(H,30,31).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 432.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 23149768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).