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

C25H33N5O3 — CID 53084335

IUPAC7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C)Cn3cnc(C(=O)NCCC(C)C)c3C(=O)N2C2CC2)c1
InChIInChI=1S/C25H33N5O3/c1-16(2)10-11-26-22(31)20-21-23(32)30(19-8-9-19)25(4,14-29(21)15-28-20)24(33)27-13-18-7-5-6-17(3)12-18/h5-7,12,15-16,19H,8-11,13-14H2,1-4H3,(H,26,31)(H,27,33)
InChIKeyWVMOUHFTHASZPG-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.66
Rot. Bonds8

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

7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084335) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53084335
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C)Cn3cnc(C(=O)NCCC(C)C)c3C(=O)N2C2CC2)c1
InChIInChI=1S/C25H33N5O3/c1-16(2)10-11-26-22(31)20-21-23(32)30(19-8-9-19)25(4,14-29(21)15-28-20)24(33)27-13-18-7-5-6-17(3)12-18/h5-7,12,15-16,19H,8-11,13-14H2,1-4H3,(H,26,31)(H,27,33)
InChIKeyWVMOUHFTHASZPG-UHFFFAOYSA-N
XLogP2.66
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 46279515
(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
(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
6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084063
(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)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(3-phenylpropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072592
(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
(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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 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) is 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1cccc(CNC(=O)C2(C)Cn3cnc(C(=O)NCCC(C)C)c3C(=O)N2C2CC2)c1.
What is the InChIKey of 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is WVMOUHFTHASZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16(2)10-11-26-22(31)20-21-23(32)30(19-8-9-19)25(4,14-29(21)15-28-20)24(33)27-13-18-7-5-6-17(3)12-18/h5-7,12,15-16,19H,8-11,13-14H2,1-4H3,(H,26,31)(H,27,33).
What are the key properties of 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 451.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-6-methyl-1-N-(3-methylbutyl)-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).