(8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C20H21F3N4O — CID 75368598

IUPAC(8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccccn2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)16-6-4-15(5-7-16)11-25-9-10-27-18(13-25)14-26(19(27)28)12-17-3-1-2-8-24-17/h1-8,18H,9-14H2/t18-/m1/s1
InChIKeyRSVPKKHRCHBQMV-GOSISDBHSA-N
MW390.41 g/mol
LogP3.22
Rot. Bonds4

About (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368598) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368598
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name(8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccccn2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)16-6-4-15(5-7-16)11-25-9-10-27-18(13-25)14-26(19(27)28)12-17-3-1-2-8-24-17/h1-8,18H,9-14H2/t18-/m1/s1
InChIKeyRSVPKKHRCHBQMV-GOSISDBHSA-N
XLogP3.22
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-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 (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368598) is (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2ccccn2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12.
What is the InChIKey of (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is RSVPKKHRCHBQMV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)16-6-4-15(5-7-16)11-25-9-10-27-18(13-25)14-26(19(27)28)12-17-3-1-2-8-24-17/h1-8,18H,9-14H2/t18-/m1/s1.
What are the key properties of (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 390.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(pyridin-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).