4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol

C23H19F3N4O — CID 137053626

IUPAC4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCCC(F)(F)C4)nccn23)cc1
InChIInChI=1S/C23H19F3N4O/c24-17-6-2-15(3-7-17)19-20(16-4-8-18(31)9-5-16)30-13-11-27-21(22(30)28-19)29-12-1-10-23(25,26)14-29/h2-9,11,13,31H,1,10,12,14H2
InChIKeyROZKPONGBYLSAG-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.14
Rot. Bonds3

About 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137053626) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137053626
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCCC(F)(F)C4)nccn23)cc1
InChIInChI=1S/C23H19F3N4O/c24-17-6-2-15(3-7-17)19-20(16-4-8-18(31)9-5-16)30-13-11-27-21(22(30)28-19)29-12-1-10-23(25,26)14-29/h2-9,11,13,31H,1,10,12,14H2
InChIKeyROZKPONGBYLSAG-UHFFFAOYSA-N
XLogP5.14
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol 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 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137053626) is 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCCC(F)(F)C4)nccn23)cc1.
What is the InChIKey of 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is ROZKPONGBYLSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c24-17-6-2-15(3-7-17)19-20(16-4-8-18(31)9-5-16)30-13-11-27-21(22(30)28-19)29-12-1-10-23(25,26)14-29/h2-9,11,13,31H,1,10,12,14H2.
What are the key properties of 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 424.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3,3-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137053626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).