methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C23H28N4O4S — CID 46279158

IUPACmethyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(c1cccc(SC)c1)C2=O
InChIInChI=1S/C23H28N4O4S/c1-23(22(30)24-15-8-5-4-6-9-15)14-26-19(13-18(25-26)21(29)31-2)20(28)27(23)16-10-7-11-17(12-16)32-3/h7,10-13,15H,4-6,8-9,14H2,1-3H3,(H,24,30)
InChIKeyLJCXZXHFCTZPMO-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.26
Rot. Bonds5

About methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46279158) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID46279158
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Namemethyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(c1cccc(SC)c1)C2=O
InChIInChI=1S/C23H28N4O4S/c1-23(22(30)24-15-8-5-4-6-9-15)14-26-19(13-18(25-26)21(29)31-2)20(28)27(23)16-10-7-11-17(12-16)32-3/h7,10-13,15H,4-6,8-9,14H2,1-3H3,(H,24,30)
InChIKeyLJCXZXHFCTZPMO-UHFFFAOYSA-N
XLogP3.26
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 6-(cycloheptylcarbamoyl)-5-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260938
Ethyl 6-(cyclohexylcarbamoyl)-5-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260942
Ethyl 6-(cycloheptylcarbamoyl)-5-(2,4-difluorophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260946
Ethyl 5-(4-fluorophenyl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260959
Ethyl 5-[(4-fluorophenyl)methyl]-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260969
Ethyl 6-(cyclopentylcarbamoyl)-5-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260985
Methyl 6-(cycloheptylcarbamoyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279175
Methyl 6-(cycloheptylcarbamoyl)-5-(4-fluorophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279176
Methyl 6-(cycloheptylcarbamoyl)-5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279191
Ethyl 6-(cycloheptylcarbamoyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279208
Ethyl 6-(cycloheptylcarbamoyl)-5-(4-fluorophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279209
Ethyl 6-(cycloheptylcarbamoyl)-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279224

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46279158) is methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(c1cccc(SC)c1)C2=O.
What is the InChIKey of methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is LJCXZXHFCTZPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-23(22(30)24-15-8-5-4-6-9-15)14-26-19(13-18(25-26)21(29)31-2)20(28)27(23)16-10-7-11-17(12-16)32-3/h7,10-13,15H,4-6,8-9,14H2,1-3H3,(H,24,30).
What are the key properties of methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 456.57 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46279158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).