(8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C19H27N3O3 — CID 86769017

IUPAC(8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(CN2C[C@H]3CN(C4CCOCC4)CCN3C2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-24-18-4-2-15(3-5-18)12-21-14-17-13-20(8-9-22(17)19(21)23)16-6-10-25-11-7-16/h2-5,16-17H,6-14H2,1H3/t17-/m1/s1
InChIKeyOWCXYVZGBQBWMH-QGZVFWFLSA-N
MW345.44 g/mol
LogP1.80
Rot. Bonds4

About (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 86769017) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID86769017
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(CN2C[C@H]3CN(C4CCOCC4)CCN3C2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-24-18-4-2-15(3-5-18)12-21-14-17-13-20(8-9-22(17)19(21)23)16-6-10-25-11-7-16/h2-5,16-17H,6-14H2,1H3/t17-/m1/s1
InChIKeyOWCXYVZGBQBWMH-QGZVFWFLSA-N
XLogP1.80
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8aR)-7-[(4-methoxyphenyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368656
(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368466
(8aR)-7-(3,3-dimethylbutanoyl)-2-[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368450
(8aR)-7-(4-chlorobenzoyl)-2-[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368453
(8aR)-2-[(4-methoxyphenyl)methyl]-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368633
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537136
(8aR)-7-[(6-methoxy-3-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368683
[(1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-morpholin-4-ylmethanone
CID 72844129
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
1-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 50789338

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 86769017) is (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COc1ccc(CN2C[C@H]3CN(C4CCOCC4)CCN3C2=O)cc1.
What is the InChIKey of (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is OWCXYVZGBQBWMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-24-18-4-2-15(3-5-18)12-21-14-17-13-20(8-9-22(17)19(21)23)16-6-10-25-11-7-16/h2-5,16-17H,6-14H2,1H3/t17-/m1/s1.
What are the key properties of (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 345.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 86769017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).