(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

C20H20N4O4 — CID 163121674

IUPAC(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1cccc(N2C(=O)[C@@H]3CN(C(=O)Nc4ccccc4)CCN3C2=O)c1
InChIInChI=1S/C20H20N4O4/c1-28-16-9-5-8-15(12-16)24-18(25)17-13-22(10-11-23(17)20(24)27)19(26)21-14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,21,26)/t17-/m0/s1
InChIKeyBSWFYCAJDBZOCX-KRWDZBQOSA-N
MW380.40 g/mol
LogP2.38
Rot. Bonds3

About (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 163121674) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID163121674
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1cccc(N2C(=O)[C@@H]3CN(C(=O)Nc4ccccc4)CCN3C2=O)c1
InChIInChI=1S/C20H20N4O4/c1-28-16-9-5-8-15(12-16)24-18(25)17-13-22(10-11-23(17)20(24)27)19(26)21-14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,21,26)/t17-/m0/s1
InChIKeyBSWFYCAJDBZOCX-KRWDZBQOSA-N
XLogP2.38
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-1,3-dioxo-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 78522899
2-[2-[(8aR)-2-(3-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]sulfanylacetic acid
CID 9419788
(8aR)-2-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 9419674
(8aR)-2-cyclohexyl-N-(3-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 9419667
(8aS)-7-(3-fluorobenzoyl)-2-(3-methoxyphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 163161577
(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 163129765
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
8-[3-(3-methoxyphenyl)propanoyl]-2-phenyl-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 146074014
(7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56856309
(7S,9aS)-N-(3-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7161770
(7S,9aR)-7-(cyclohexylmethyl)-N-(3-methoxyphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7161748
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 163121674) is (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is COc1cccc(N2C(=O)[C@@H]3CN(C(=O)Nc4ccccc4)CCN3C2=O)c1.
What is the InChIKey of (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is BSWFYCAJDBZOCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-28-16-9-5-8-15(12-16)24-18(25)17-13-22(10-11-23(17)20(24)27)19(26)21-14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,21,26)/t17-/m0/s1.
What are the key properties of (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 163121674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).