1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

C19H23F3N4O2 — CID 54503902

IUPAC1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2n1CCCC2
InChIInChI=1S/C19H23F3N4O2/c20-19(21,22)14-4-3-5-15(12-14)24-10-8-23(9-11-24)13-26-17(27)16-6-1-2-7-25(16)18(26)28/h3-5,12,27H,1-2,6-11,13H2
InChIKeyYEJGEBAXGTVVHO-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.49
Rot. Bonds3

About 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (PubChem CID 54503902) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
PubChem CID54503902
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2n1CCCC2
InChIInChI=1S/C19H23F3N4O2/c20-19(21,22)14-4-3-5-15(12-14)24-10-8-23(9-11-24)13-26-17(27)16-6-1-2-7-25(16)18(26)28/h3-5,12,27H,1-2,6-11,13H2
InChIKeyYEJGEBAXGTVVHO-UHFFFAOYSA-N
XLogP2.49
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one 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-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The IUPAC name of 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (CID 54503902) is 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is O=c1n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2n1CCCC2.
What is the InChIKey of 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The InChIKey is YEJGEBAXGTVVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c20-19(21,22)14-4-3-5-15(12-14)24-10-8-23(9-11-24)13-26-17(27)16-6-1-2-7-25(16)18(26)28/h3-5,12,27H,1-2,6-11,13H2.
What are the key properties of 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one has a molecular weight of 396.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 54503902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).