[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate

C25H17FN4O2 — CID 87543655

IUPAC[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate
SMILESO=CON(c1ccncc1)c1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C25H17FN4O2/c26-21-6-4-18(5-7-21)19-10-13-29-24(16-28-25(29)15-19)20-2-1-3-23(14-20)30(32-17-31)22-8-11-27-12-9-22/h1-17H
InChIKeyIMSGUNARGZCVIF-UHFFFAOYSA-N
MW424.44 g/mol
LogP5.43
Rot. Bonds6

About [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate

[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate (PubChem CID 87543655) has the molecular formula C25H17FN4O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate.

Molecular Properties

Compound Name[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate
PubChem CID87543655
Molecular FormulaC25H17FN4O2
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC Name[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate
SMILESO=CON(c1ccncc1)c1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C25H17FN4O2/c26-21-6-4-18(5-7-21)19-10-13-29-24(16-28-25(29)15-19)20-2-1-3-23(14-20)30(32-17-31)22-8-11-27-12-9-22/h1-17H
InChIKeyIMSGUNARGZCVIF-UHFFFAOYSA-N
XLogP5.43
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate 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-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate?
The IUPAC name of [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate (CID 87543655) is [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate.
What is the SMILES notation for [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate?
The canonical SMILES for [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate is O=CON(c1ccncc1)c1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.
What is the InChIKey of [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate?
The InChIKey is IMSGUNARGZCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O2/c26-21-6-4-18(5-7-21)19-10-13-29-24(16-28-25(29)15-19)20-2-1-3-23(14-20)30(32-17-31)22-8-11-27-12-9-22/h1-17H.
What are the key properties of [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate?
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate has a molecular weight of 424.44 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate is sourced from PubChem (CID 87543655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).