(8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

C17H24N4O3 — CID 75368527

IUPAC(8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOCCN1C[C@H]2CN(C(=O)NCc3ccccc3)CCN2C1=O
InChIInChI=1S/C17H24N4O3/c1-24-10-9-20-13-15-12-19(7-8-21(15)17(20)23)16(22)18-11-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyJZMDHZACAVTGJR-OAHLLOKOSA-N
MW332.40 g/mol
LogP0.96
Rot. Bonds5

About (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

(8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 75368527) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID75368527
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOCCN1C[C@H]2CN(C(=O)NCc3ccccc3)CCN2C1=O
InChIInChI=1S/C17H24N4O3/c1-24-10-9-20-13-15-12-19(7-8-21(15)17(20)23)16(22)18-11-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyJZMDHZACAVTGJR-OAHLLOKOSA-N
XLogP0.96
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 75368527) is (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is COCCN1C[C@H]2CN(C(=O)NCc3ccccc3)CCN2C1=O.
What is the InChIKey of (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is JZMDHZACAVTGJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-10-9-20-13-15-12-19(7-8-21(15)17(20)23)16(22)18-11-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
(8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-N-benzyl-2-(2-methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 75368527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).