(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C20H24F3N3O2 — CID 99814639

IUPAC(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@H]2CN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)CCN12
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-6-4-5-14(11-15)19(7-2-1-3-8-19)17(27)25-9-10-26-16(13-25)12-24-18(26)28/h4-6,11,16H,1-3,7-10,12-13H2,(H,24,28)/t16-/m0/s1
InChIKeyVHYJUDSCRBUFNX-INIZCTEOSA-N
MW395.43 g/mol
LogP3.14
Rot. Bonds2

About (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 99814639) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID99814639
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@H]2CN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)CCN12
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-6-4-5-14(11-15)19(7-2-1-3-8-19)17(27)25-9-10-26-16(13-25)12-24-18(26)28/h4-6,11,16H,1-3,7-10,12-13H2,(H,24,28)/t16-/m0/s1
InChIKeyVHYJUDSCRBUFNX-INIZCTEOSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
CID 56575500
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
CID 47088076
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 127906304
[3-(1-aminoethyl)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119596794
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119542396
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55484939
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119664663

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 99814639) is (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NC[C@H]2CN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)CCN12.
What is the InChIKey of (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is VHYJUDSCRBUFNX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)15-6-4-5-14(11-15)19(7-2-1-3-8-19)17(27)25-9-10-26-16(13-25)12-24-18(26)28/h4-6,11,16H,1-3,7-10,12-13H2,(H,24,28)/t16-/m0/s1.
What are the key properties of (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 395.43 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 99814639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).