6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C27H31N5O4 — CID 50792441

IUPAC6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C27H31N5O4/c1-4-14-32-25(34)23-22(24(33)28-15-20-10-12-21(36-3)13-11-20)30-18-31(23)17-27(32,2)26(35)29-16-19-8-6-5-7-9-19/h5-13,18H,4,14-17H2,1-3H3,(H,28,33)(H,29,35)
InChIKeyDIJGOVJVHRQYTK-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.76
Rot. Bonds9

About 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 50792441) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID50792441
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C27H31N5O4/c1-4-14-32-25(34)23-22(24(33)28-15-20-10-12-21(36-3)13-11-20)30-18-31(23)17-27(32,2)26(35)29-16-19-8-6-5-7-9-19/h5-13,18H,4,14-17H2,1-3H3,(H,28,33)(H,29,35)
InChIKeyDIJGOVJVHRQYTK-UHFFFAOYSA-N
XLogP2.76
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083863
(6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072329
6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083856
(6R)-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072137
(6S)-6-N-benzyl-1-N-(4-ethylphenyl)-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93068789
(6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072325
(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
1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083952
(6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 98317998
methyl (6R)-6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propoxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750304
6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083932
6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084026

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 50792441) is 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2CC1(C)C(=O)NCc1ccccc1.
What is the InChIKey of 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is DIJGOVJVHRQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-4-14-32-25(34)23-22(24(33)28-15-20-10-12-21(36-3)13-11-20)30-18-31(23)17-27(32,2)26(35)29-16-19-8-6-5-7-9-19/h5-13,18H,4,14-17H2,1-3H3,(H,28,33)(H,29,35).
What are the key properties of 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 489.58 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 50792441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).