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

C26H35N5O4 — CID 95072889

IUPAC(6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCCCOC(C)C)C3)c1
InChIInChI=1S/C26H35N5O4/c1-16(2)35-10-6-9-27-25(34)26(5)14-30-15-28-21(22(30)24(33)31(26)20-7-8-20)23(32)29-19-12-17(3)11-18(4)13-19/h11-13,15-16,20H,6-10,14H2,1-5H3,(H,27,34)(H,29,32)/t26-/m0/s1
InChIKeyWZKJHXPEEFGXHE-SANMLTNESA-N
MW481.60 g/mol
LogP3.06
Rot. Bonds9

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

(6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072889) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is (6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID95072889
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name(6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCCCOC(C)C)C3)c1
InChIInChI=1S/C26H35N5O4/c1-16(2)35-10-6-9-27-25(34)26(5)14-30-15-28-21(22(30)24(33)31(26)20-7-8-20)23(32)29-19-12-17(3)11-18(4)13-19/h11-13,15-16,20H,6-10,14H2,1-5H3,(H,27,34)(H,29,32)/t26-/m0/s1
InChIKeyWZKJHXPEEFGXHE-SANMLTNESA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of (6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072889) is (6S)-7-cyclopropyl-1-N-(3,5-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 (6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for (6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1cc(C)cc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCCCOC(C)C)C3)c1.
What is the InChIKey of (6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is WZKJHXPEEFGXHE-SANMLTNESA-N. The full InChI is InChI=1S/C26H35N5O4/c1-16(2)35-10-6-9-27-25(34)26(5)14-30-15-28-21(22(30)24(33)31(26)20-7-8-20)23(32)29-19-12-17(3)11-18(4)13-19/h11-13,15-16,20H,6-10,14H2,1-5H3,(H,27,34)(H,29,32)/t26-/m0/s1.
What are the key properties of (6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
(6S)-7-cyclopropyl-1-N-(3,5-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 (6S)-7-cyclopropyl-1-N-(3,5-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 95072889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).