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

C19H26ClN3O — CID 75368648

IUPAC(8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccc(Cl)c3)CCN12
InChIInChI=1S/C19H26ClN3O/c20-16-6-4-5-15(11-16)12-21-9-10-22-18(13-21)14-23(19(22)24)17-7-2-1-3-8-17/h4-6,11,17-18H,1-3,7-10,12-14H2/t18-/m1/s1
InChIKeyDGXHAJAPSZNYKO-GOSISDBHSA-N
MW347.89 g/mol
LogP3.59
Rot. Bonds3

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

(8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368648) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368648
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name(8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccc(Cl)c3)CCN12
InChIInChI=1S/C19H26ClN3O/c20-16-6-4-5-15(11-16)12-21-9-10-22-18(13-21)14-23(19(22)24)17-7-2-1-3-8-17/h4-6,11,17-18H,1-3,7-10,12-14H2/t18-/m1/s1
InChIKeyDGXHAJAPSZNYKO-GOSISDBHSA-N
XLogP3.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368648) is (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccc(Cl)c3)CCN12.
What is the InChIKey of (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is DGXHAJAPSZNYKO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26ClN3O/c20-16-6-4-5-15(11-16)12-21-9-10-22-18(13-21)14-23(19(22)24)17-7-2-1-3-8-17/h4-6,11,17-18H,1-3,7-10,12-14H2/t18-/m1/s1.
What are the key properties of (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 347.89 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).