benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate

C26H24FN3O2 — CID 58774430

IUPACbenzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2ccn3cc(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C26H24FN3O2/c27-23-8-6-21(7-9-23)24-17-30-15-12-22(16-25(30)28-24)20-10-13-29(14-11-20)26(31)32-18-19-4-2-1-3-5-19/h1-9,12,15-17,20H,10-11,13-14,18H2
InChIKeySOLNAFGPBSTXRL-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.66
Rot. Bonds4

About benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate

benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate (PubChem CID 58774430) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate
PubChem CID58774430
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Namebenzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2ccn3cc(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C26H24FN3O2/c27-23-8-6-21(7-9-23)24-17-30-15-12-22(16-25(30)28-24)20-10-13-29(14-11-20)26(31)32-18-19-4-2-1-3-5-19/h1-9,12,15-17,20H,10-11,13-14,18H2
InChIKeySOLNAFGPBSTXRL-UHFFFAOYSA-N
XLogP5.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-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 benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate (CID 58774430) is benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(c2ccn3cc(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate?
The InChIKey is SOLNAFGPBSTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c27-23-8-6-21(7-9-23)24-17-30-15-12-22(16-25(30)28-24)20-10-13-29(14-11-20)26(31)32-18-19-4-2-1-3-5-19/h1-9,12,15-17,20H,10-11,13-14,18H2.
What are the key properties of benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate?
benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate has a molecular weight of 429.50 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58774430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).