1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol

C18H16F4N4O — CID 163310971

IUPAC1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol
SMILESOC1CCN(c2nccn3c(-c4ccc(F)c(C(F)(F)F)c4)cnc23)CC1
InChIInChI=1S/C18H16F4N4O/c19-14-2-1-11(9-13(14)18(20,21)22)15-10-24-17-16(23-5-8-26(15)17)25-6-3-12(27)4-7-25/h1-2,5,8-10,12,27H,3-4,6-7H2
InChIKeyAWQWQVPTEUGGRP-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.52
Rot. Bonds2

About 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol

1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol (PubChem CID 163310971) has the molecular formula C18H16F4N4O and a molecular weight of 380.35 g/mol. Its IUPAC name is 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol
PubChem CID163310971
Molecular FormulaC18H16F4N4O
Molecular Weight380.35 g/mol
Exact Mass380.13
IUPAC Name1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol
SMILESOC1CCN(c2nccn3c(-c4ccc(F)c(C(F)(F)F)c4)cnc23)CC1
InChIInChI=1S/C18H16F4N4O/c19-14-2-1-11(9-13(14)18(20,21)22)15-10-24-17-16(23-5-8-26(15)17)25-6-3-12(27)4-7-25/h1-2,5,8-10,12,27H,3-4,6-7H2
InChIKeyAWQWQVPTEUGGRP-UHFFFAOYSA-N
XLogP3.52
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol 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 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol (CID 163310971) is 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol is OC1CCN(c2nccn3c(-c4ccc(F)c(C(F)(F)F)c4)cnc23)CC1.
What is the InChIKey of 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol?
The InChIKey is AWQWQVPTEUGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O/c19-14-2-1-11(9-13(14)18(20,21)22)15-10-24-17-16(23-5-8-26(15)17)25-6-3-12(27)4-7-25/h1-2,5,8-10,12,27H,3-4,6-7H2.
What are the key properties of 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol?
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol has a molecular weight of 380.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol is sourced from PubChem (CID 163310971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).