1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H32ClN5O3 — CID 53083874

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2CC1(C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C28H32ClN5O3/c1-4-15-34-26(36)24-23(25(35)30-14-13-20-9-11-22(29)12-10-20)32-18-33(24)17-28(34,3)27(37)31-16-21-7-5-19(2)6-8-21/h5-12,18H,4,13-17H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyKODBVDOVSVQVOP-UHFFFAOYSA-N
MW522.05 g/mol
LogP3.76
Rot. Bonds9

About 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53083874) has the molecular formula C28H32ClN5O3 and a molecular weight of 522.05 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53083874
Molecular FormulaC28H32ClN5O3
Molecular Weight522.05 g/mol
Exact Mass521.22
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2CC1(C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C28H32ClN5O3/c1-4-15-34-26(36)24-23(25(35)30-14-13-20-9-11-22(29)12-10-20)32-18-33(24)17-28(34,3)27(37)31-16-21-7-5-19(2)6-8-21/h5-12,18H,4,13-17H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyKODBVDOVSVQVOP-UHFFFAOYSA-N
XLogP3.76
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.05
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Related Compounds

1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083927
(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
(6R)-6-methyl-1-N-(3-methylbutyl)-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072149
(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
(6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 92749858
methyl (6R)-7-[(4-chlorophenyl)methyl]-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891896
(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
(6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072144
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
6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792423
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-benzyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792441

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53083874) is 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2CC1(C)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is KODBVDOVSVQVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O3/c1-4-15-34-26(36)24-23(25(35)30-14-13-20-9-11-22(29)12-10-20)32-18-33(24)17-28(34,3)27(37)31-16-21-7-5-19(2)6-8-21/h5-12,18H,4,13-17H2,1-3H3,(H,30,35)(H,31,37).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 522.05 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53083874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).