1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H29N5O4 — CID 53084072

IUPAC1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2ccc(C)cc2)C3)cc1
InChIInChI=1S/C28H29N5O4/c1-17-4-6-19(7-5-17)14-29-27(37)28(3)15-32-16-30-23(24(32)26(36)33(28)22-12-13-22)25(35)31-21-10-8-20(9-11-21)18(2)34/h4-11,16,22H,12-15H2,1-3H3,(H,29,37)(H,31,35)
InChIKeyJXTXIKHQSMRQCF-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.34
Rot. Bonds7

About 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084072) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53084072
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2ccc(C)cc2)C3)cc1
InChIInChI=1S/C28H29N5O4/c1-17-4-6-19(7-5-17)14-29-27(37)28(3)15-32-16-30-23(24(32)26(36)33(28)22-12-13-22)25(35)31-21-10-8-20(9-11-21)18(2)34/h4-11,16,22H,12-15H2,1-3H3,(H,29,37)(H,31,35)
InChIKeyJXTXIKHQSMRQCF-UHFFFAOYSA-N
XLogP3.34
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-1-N-(4-acetylphenyl)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072562
(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)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072497
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
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
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
(6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072635
7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084149
(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
7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide
CID 53084080

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084072) is 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2ccc(C)cc2)C3)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is JXTXIKHQSMRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-17-4-6-19(7-5-17)14-29-27(37)28(3)15-32-16-30-23(24(32)26(36)33(28)22-12-13-22)25(35)31-21-10-8-20(9-11-21)18(2)34/h4-11,16,22H,12-15H2,1-3H3,(H,29,37)(H,31,35).
What are the key properties of 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 499.57 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).