3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid

C19H18FN3O3 — CID 70659553

IUPAC3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1
InChIInChI=1S/C19H18FN3O3/c20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25/h5-8,11H,1-4,9-10H2,(H,24,25)
InChIKeyASXIYKUNTMIKGB-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.11
Rot. Bonds3

About 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid

3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659553) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659553
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1
InChIInChI=1S/C19H18FN3O3/c20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25/h5-8,11H,1-4,9-10H2,(H,24,25)
InChIKeyASXIYKUNTMIKGB-UHFFFAOYSA-N
XLogP4.11
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid 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 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid (CID 70659553) is 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1.
What is the InChIKey of 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is ASXIYKUNTMIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25/h5-8,11H,1-4,9-10H2,(H,24,25).
What are the key properties of 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).