7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C26H35N5O4 — CID 71686678

IUPAC7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCCCOC(C)C)C3)cc1C
InChIInChI=1S/C26H35N5O4/c1-16(2)35-12-6-11-27-25(34)26(5)14-30-15-28-21(22(30)24(33)31(26)20-9-10-20)23(32)29-19-8-7-17(3)18(4)13-19/h7-8,13,15-16,20H,6,9-12,14H2,1-5H3,(H,27,34)(H,29,32)
InChIKeyJHMDAVJGVCGOOG-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.06
Rot. Bonds9

About 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 71686678) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID71686678
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCCCOC(C)C)C3)cc1C
InChIInChI=1S/C26H35N5O4/c1-16(2)35-12-6-11-27-25(34)26(5)14-30-15-28-21(22(30)24(33)31(26)20-9-10-20)23(32)29-19-8-7-17(3)18(4)13-19/h7-8,13,15-16,20H,6,9-12,14H2,1-5H3,(H,27,34)(H,29,32)
InChIKeyJHMDAVJGVCGOOG-UHFFFAOYSA-N
XLogP3.06
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 71686678) is 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCCCOC(C)C)C3)cc1C.
What is the InChIKey of 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is JHMDAVJGVCGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-16(2)35-12-6-11-27-25(34)26(5)14-30-15-28-21(22(30)24(33)31(26)20-9-10-20)23(32)29-19-8-7-17(3)18(4)13-19/h7-8,13,15-16,20H,6,9-12,14H2,1-5H3,(H,27,34)(H,29,32).
What are the key properties of 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 71686678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).