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

C23H19F3N4O — CID 137053648

IUPAC4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCC(F)(F)CC4)nccn23)cc1
InChIInChI=1S/C23H19F3N4O/c24-17-5-1-15(2-6-17)19-20(16-3-7-18(31)8-4-16)30-14-11-27-21(22(30)28-19)29-12-9-23(25,26)10-13-29/h1-8,11,14,31H,9-10,12-13H2
InChIKeyZCIKENQNSIXWGB-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.14
Rot. Bonds3

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

4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137053648) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137053648
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCC(F)(F)CC4)nccn23)cc1
InChIInChI=1S/C23H19F3N4O/c24-17-5-1-15(2-6-17)19-20(16-3-7-18(31)8-4-16)30-14-11-27-21(22(30)28-19)29-12-9-23(25,26)10-13-29/h1-8,11,14,31H,9-10,12-13H2
InChIKeyZCIKENQNSIXWGB-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

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137053648) is 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCC(F)(F)CC4)nccn23)cc1.
What is the InChIKey of 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is ZCIKENQNSIXWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c24-17-5-1-15(2-6-17)19-20(16-3-7-18(31)8-4-16)30-14-11-27-21(22(30)28-19)29-12-9-23(25,26)10-13-29/h1-8,11,14,31H,9-10,12-13H2.
What are the key properties of 4-[8-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[8-(4,4-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-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137053648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).