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

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Related Compounds

1-[3-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-ol
CID 163317288
1-[3-[2-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol
CID 163305995
3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine
CID 126471827
1-(3-pyrazolo[1,5-a]pyridin-7-ylimidazo[1,2-a]pyrazin-8-yl)piperidin-4-ol
CID 163317910
[3-(8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 163318005
2-[4-[3-(3-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanol
CID 46241787
1-[3-(2-methoxyquinolin-3-yl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-ol
CID 163313692
3-(3-fluorophenyl)-8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155840422
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(4-piperazin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-c]pyridine
CID 162652085
5-bromo-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidine
CID 141442764
8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155823488
acetic acid;1-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-ol
CID 166599371

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).