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

C23H18FN3O3 — CID 23149767

IUPAC5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESNc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C23H18FN3O3/c24-17-8-6-14(7-9-17)10-16-11-18-19(26-12-16)21(20(23(28)29)27-22(18)25)30-13-15-4-2-1-3-5-15/h1-9,11-12H,10,13H2,(H2,25,27)(H,28,29)
InChIKeyTYIHSNDCHLKKQV-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.22
Rot. Bonds6

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

5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 23149767) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID23149767
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESNc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C23H18FN3O3/c24-17-8-6-14(7-9-17)10-16-11-18-19(26-12-16)21(20(23(28)29)27-22(18)25)30-13-15-4-2-1-3-5-15/h1-9,11-12H,10,13H2,(H2,25,27)(H,28,29)
InChIKeyTYIHSNDCHLKKQV-UHFFFAOYSA-N
XLogP4.22
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (CID 23149767) is 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is Nc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is TYIHSNDCHLKKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-17-8-6-14(7-9-17)10-16-11-18-19(26-12-16)21(20(23(28)29)27-22(18)25)30-13-15-4-2-1-3-5-15/h1-9,11-12H,10,13H2,(H2,25,27)(H,28,29).
What are the key properties of 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 403.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 23149767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).