(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

C17H24N4O3 — CID 75368466

IUPAC(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCCNC(=O)N1CCN2C(=O)N(Cc3ccc(OC)cc3)C[C@H]2C1
InChIInChI=1S/C17H24N4O3/c1-3-18-16(22)19-8-9-21-14(11-19)12-20(17(21)23)10-13-4-6-15(24-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyUVVHPPYBDMWEAL-CQSZACIVSA-N
MW332.40 g/mol
LogP1.35
Rot. Bonds4

About (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 75368466) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID75368466
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCCNC(=O)N1CCN2C(=O)N(Cc3ccc(OC)cc3)C[C@H]2C1
InChIInChI=1S/C17H24N4O3/c1-3-18-16(22)19-8-9-21-14(11-19)12-20(17(21)23)10-13-4-6-15(24-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyUVVHPPYBDMWEAL-CQSZACIVSA-N
XLogP1.35
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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)-N-benzyl-2-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75536996
N-ethyl-7-[(4-methoxyphenyl)methyl]-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 74505894
(8aR)-2-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 86769017
N-(4-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098532
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
(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-methoxy-2-methylbenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 50789338
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 70246920
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897

Frequently Asked Questions

What is the IUPAC name of (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 75368466) is (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is CCNC(=O)N1CCN2C(=O)N(Cc3ccc(OC)cc3)C[C@H]2C1.
What is the InChIKey of (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is UVVHPPYBDMWEAL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-18-16(22)19-8-9-21-14(11-19)12-20(17(21)23)10-13-4-6-15(24-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-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 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 75368466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).