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

C19H25N5O2 — CID 75368632

IUPAC(8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(CN2C[C@H]3CN(Cc4nccn4C)CCN3C2=O)cc1
InChIInChI=1S/C19H25N5O2/c1-21-8-7-20-18(21)14-22-9-10-24-16(12-22)13-23(19(24)25)11-15-3-5-17(26-2)6-4-15/h3-8,16H,9-14H2,1-2H3/t16-/m1/s1
InChIKeyUQLFUHXUOUYPHR-MRXNPFEDSA-N
MW355.44 g/mol
LogP1.55
Rot. Bonds5

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

(8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368632) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368632
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(CN2C[C@H]3CN(Cc4nccn4C)CCN3C2=O)cc1
InChIInChI=1S/C19H25N5O2/c1-21-8-7-20-18(21)14-22-9-10-24-16(12-22)13-23(19(24)25)11-15-3-5-17(26-2)6-4-15/h3-8,16H,9-14H2,1-2H3/t16-/m1/s1
InChIKeyUQLFUHXUOUYPHR-MRXNPFEDSA-N
XLogP1.55
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368632) is (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-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-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COc1ccc(CN2C[C@H]3CN(Cc4nccn4C)CCN3C2=O)cc1.
What is the InChIKey of (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is UQLFUHXUOUYPHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-21-8-7-20-18(21)14-22-9-10-24-16(12-22)13-23(19(24)25)11-15-3-5-17(26-2)6-4-15/h3-8,16H,9-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[(4-methoxyphenyl)methyl]-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).