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

C20H26F3N3O — CID 75368652

IUPAC(8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12
InChIInChI=1S/C20H26F3N3O/c21-20(22,23)16-8-6-15(7-9-16)12-24-10-11-25-18(13-24)14-26(19(25)27)17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2/t18-/m1/s1
InChIKeyLTIJQQVAEYJHHA-GOSISDBHSA-N
MW381.44 g/mol
LogP3.96
Rot. Bonds3

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

(8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368652) has the molecular formula C20H26F3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368652
Molecular FormulaC20H26F3N3O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC Name(8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12
InChIInChI=1S/C20H26F3N3O/c21-20(22,23)16-8-6-15(7-9-16)12-24-10-11-25-18(13-24)14-26(19(25)27)17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2/t18-/m1/s1
InChIKeyLTIJQQVAEYJHHA-GOSISDBHSA-N
XLogP3.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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(S)-4-(2,5-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenyl-2H-pyrrole-1(5H)-carboxamide
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4-Isopropyl-piperazine-1-carboxylic acid biphenyl-4-ylmethyl-methyl-amide
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CID 44418472
(4-Cyclopropylpiperazin-1-yl)(isoindolin-2-yl)methanone
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(4-Cyclopentylpiperazin-1-yl)(isoindolin-2-yl)methanone
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(S)-N-(4-(trifluoromethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418511
2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-(4-fluoro-2-methylphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 46224897
1-[(4aS,7aS)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]prop-2-en-1-one
CID 155344193
1-[(4aR,7aR)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]prop-2-en-1-one
CID 155344411

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368652) is (8aR)-2-cyclohexyl-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-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(C2CCCCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12.
What is the InChIKey of (8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is LTIJQQVAEYJHHA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26F3N3O/c21-20(22,23)16-8-6-15(7-9-16)12-24-10-11-25-18(13-24)14-26(19(25)27)17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2/t18-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 381.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).