methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C25H34N4O5 — CID 92750343

IUPACmethyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1ccc(C(C)C)cc1)[C@@](C)(C(=O)NCCCOC(C)C)C2
InChIInChI=1S/C25H34N4O5/c1-16(2)18-8-10-19(11-9-18)29-22(30)21-20(23(31)33-6)27-15-28(21)14-25(29,5)24(32)26-12-7-13-34-17(3)4/h8-11,15-17H,7,12-14H2,1-6H3,(H,26,32)/t25-/m1/s1
InChIKeyOHINURFBEXGTSI-RUZDIDTESA-N
MW470.57 g/mol
LogP3.14
Rot. Bonds9

About methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 92750343) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID92750343
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Namemethyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(c1ccc(C(C)C)cc1)[C@@](C)(C(=O)NCCCOC(C)C)C2
InChIInChI=1S/C25H34N4O5/c1-16(2)18-8-10-19(11-9-18)29-22(30)21-20(23(31)33-6)27-15-28(21)14-25(29,5)24(32)26-12-7-13-34-17(3)4/h8-11,15-17H,7,12-14H2,1-6H3,(H,26,32)/t25-/m1/s1
InChIKeyOHINURFBEXGTSI-RUZDIDTESA-N
XLogP3.14
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate with MolForge

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Related Compounds

methyl (6R)-7-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92750337
methyl (6R)-6-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891942
methyl (6S)-6-(benzylcarbamoyl)-6-methyl-7-(4-methylphenyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891807
methyl (6S)-7-(4-ethoxyphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891911
methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794416
methyl (6S)-7-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891925
methyl 7-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794446
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
1-N-(3-chlorophenyl)-7-cyclopropyl-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084280
(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
(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739416
(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 92730949

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 92750343) is methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(c1ccc(C(C)C)cc1)[C@@](C)(C(=O)NCCCOC(C)C)C2.
What is the InChIKey of methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is OHINURFBEXGTSI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H34N4O5/c1-16(2)18-8-10-19(11-9-18)29-22(30)21-20(23(31)33-6)27-15-28(21)14-25(29,5)24(32)26-12-7-13-34-17(3)4/h8-11,15-17H,7,12-14H2,1-6H3,(H,26,32)/t25-/m1/s1.
What are the key properties of methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-7-(4-propan-2-ylphenyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 92750343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).