sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate

C20H17FN3NaO2 — CID 23688043

IUPACsodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1.[Na+]
InChIInChI=1S/C20H18FN3O2.Na/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26;/h1-5,8,11-13H,6-7,9-10H2,(H,25,26);/q;+1/p-1
InChIKeyWLDCXFNUNDZCKW-UHFFFAOYSA-M
MW373.36 g/mol
LogP-0.59
Rot. Bonds3

About sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate

sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate (PubChem CID 23688043) has the molecular formula C20H17FN3NaO2 and a molecular weight of 373.36 g/mol. Its IUPAC name is sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namesodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate
PubChem CID23688043
Molecular FormulaC20H17FN3NaO2
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Namesodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1.[Na+]
InChIInChI=1S/C20H18FN3O2.Na/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26;/h1-5,8,11-13H,6-7,9-10H2,(H,25,26);/q;+1/p-1
InChIKeyWLDCXFNUNDZCKW-UHFFFAOYSA-M
XLogP-0.59
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate 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 sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate?
The IUPAC name of sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate (CID 23688043) is sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate.
What is the SMILES notation for sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate?
The canonical SMILES for sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate is O=C([O-])C1CCN(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1.[Na+].
What is the InChIKey of sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate?
The InChIKey is WLDCXFNUNDZCKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18FN3O2.Na/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26;/h1-5,8,11-13H,6-7,9-10H2,(H,25,26);/q;+1/p-1.
What are the key properties of sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate?
sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate has a molecular weight of 373.36 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylate is sourced from PubChem (CID 23688043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).