(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

C25H35N5O3 — CID 95072149

IUPAC(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
SMILESCCCN1C(=O)c2c(C(=O)NCCC(C)C)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C25H35N5O3/c1-6-13-30-23(32)21-20(22(31)26-12-11-17(2)3)28-16-29(21)15-25(30,5)24(33)27-14-19-9-7-18(4)8-10-19/h7-10,16-17H,6,11-15H2,1-5H3,(H,26,31)(H,27,33)/t25-/m1/s1
InChIKeySRSYZTUBOVFGDB-RUZDIDTESA-N
MW453.59 g/mol
LogP2.91
Rot. Bonds9

About (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

(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 (PubChem CID 95072149) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95072149
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name(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
SMILESCCCN1C(=O)c2c(C(=O)NCCC(C)C)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C25H35N5O3/c1-6-13-30-23(32)21-20(22(31)26-12-11-17(2)3)28-16-29(21)15-25(30,5)24(33)27-14-19-9-7-18(4)8-10-19/h7-10,16-17H,6,11-15H2,1-5H3,(H,26,31)(H,27,33)/t25-/m1/s1
InChIKeySRSYZTUBOVFGDB-RUZDIDTESA-N
XLogP2.91
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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
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
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
(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
(6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 92749879
1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792449
(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-[(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-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083856
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-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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCN1C(=O)c2c(C(=O)NCCC(C)C)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (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?
The InChIKey is SRSYZTUBOVFGDB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H35N5O3/c1-6-13-30-23(32)21-20(22(31)26-12-11-17(2)3)28-16-29(21)15-25(30,5)24(33)27-14-19-9-7-18(4)8-10-19/h7-10,16-17H,6,11-15H2,1-5H3,(H,26,31)(H,27,33)/t25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 453.59 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95072149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).