6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C20H23N5O3 — CID 53084063

IUPAC6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCNC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C20H23N5O3/c1-20(19(28)22-10-13-6-4-3-5-7-13)11-24-12-23-15(17(26)21-2)16(24)18(27)25(20)14-8-9-14/h3-7,12,14H,8-11H2,1-2H3,(H,21,26)(H,22,28)
InChIKeyLTLDDFOXCMIYMJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.94
Rot. Bonds5

About 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084063) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53084063
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCNC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C20H23N5O3/c1-20(19(28)22-10-13-6-4-3-5-7-13)11-24-12-23-15(17(26)21-2)16(24)18(27)25(20)14-8-9-14/h3-7,12,14H,8-11H2,1-2H3,(H,21,26)(H,22,28)
InChIKeyLTLDDFOXCMIYMJ-UHFFFAOYSA-N
XLogP0.94
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084322
1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084353
(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072510
(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(3-phenylpropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072592
7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084351
(6R)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073006
(6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073042
(6R)-1-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072565
(6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072741
(6S)-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072934
(6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072964
(6R)-1-N-cyclohexyl-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072645

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084063) is 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CNC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccccc1)C2.
What is the InChIKey of 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is LTLDDFOXCMIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-20(19(28)22-10-13-6-4-3-5-7-13)11-24-12-23-15(17(26)21-2)16(24)18(27)25(20)14-8-9-14/h3-7,12,14H,8-11H2,1-2H3,(H,21,26)(H,22,28).
What are the key properties of 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 381.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).