methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C21H24N4O4 — CID 46279515

IUPACmethyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1cccc(C)c1)C2
InChIInChI=1S/C21H24N4O4/c1-13-5-4-6-14(9-13)10-22-20(28)21(2)11-24-12-23-16(19(27)29-3)17(24)18(26)25(21)15-7-8-15/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H,22,28)
InChIKeyIPTCSMCXKUWDJU-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.67
Rot. Bonds5

About methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 46279515) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID46279515
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Namemethyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1cccc(C)c1)C2
InChIInChI=1S/C21H24N4O4/c1-13-5-4-6-14(9-13)10-22-20(28)21(2)11-24-12-23-16(19(27)29-3)17(24)18(26)25(21)15-7-8-15/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H,22,28)
InChIKeyIPTCSMCXKUWDJU-UHFFFAOYSA-N
XLogP1.67
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
(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
7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084348
7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084335
methyl 6-(benzylcarbamoyl)-6-methyl-7-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794499
methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794444
(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
methyl 2-[[7-cyclopropyl-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]benzoate
CID 20948117
6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084063
(6S)-6-methyl-1-N-[(3-methylphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072150

Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 46279515) is methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1cccc(C)c1)C2.
What is the InChIKey of methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is IPTCSMCXKUWDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13-5-4-6-14(9-13)10-22-20(28)21(2)11-24-12-23-16(19(27)29-3)17(24)18(26)25(21)15-7-8-15/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H,22,28).
What are the key properties of methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 46279515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).