methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C23H30N4O4S — CID 46279162

IUPACmethyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCC(C)CC1)N(CCc1cccs1)C2=O
InChIInChI=1S/C23H30N4O4S/c1-15-6-8-16(9-7-15)24-22(30)23(2)14-27-19(13-18(25-27)21(29)31-3)20(28)26(23)11-10-17-5-4-12-32-17/h4-5,12-13,15-16H,6-11,14H2,1-3H3,(H,24,30)
InChIKeyAKPABTBNDPRYJX-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.88
Rot. Bonds6

About methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46279162) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID46279162
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Namemethyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCC(C)CC1)N(CCc1cccs1)C2=O
InChIInChI=1S/C23H30N4O4S/c1-15-6-8-16(9-7-15)24-22(30)23(2)14-27-19(13-18(25-27)21(29)31-3)20(28)26(23)11-10-17-5-4-12-32-17/h4-5,12-13,15-16H,6-11,14H2,1-3H3,(H,24,30)
InChIKeyAKPABTBNDPRYJX-UHFFFAOYSA-N
XLogP2.88
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

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 5-(3-fluoro-4-methylphenyl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260984
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
Ethyl 6-[(cyclopentylamino)carbonyl]-5-(3-fluorobenzyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50758808
Ethyl 5-[(3-fluorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 50758893
Methyl 5-(4-fluoro-2-methylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 50758937
Methyl 5-[(2-fluorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 50758952
Methyl 6-(cyclopentylcarbamoyl)-5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 50758979
Ethyl 5-(3-fluorophenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 50758983
Ethyl 6-{[(4-fluorophenyl)methyl]carbamoyl}-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 20919561
Ethyl 5-[(3-fluorophenyl)methyl]-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260979
Methyl 5-[(4-fluorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 50758920

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46279162) is methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCC(C)CC1)N(CCc1cccs1)C2=O.
What is the InChIKey of methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is AKPABTBNDPRYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-15-6-8-16(9-7-15)24-22(30)23(2)14-27-19(13-18(25-27)21(29)31-3)20(28)26(23)11-10-17-5-4-12-32-17/h4-5,12-13,15-16H,6-11,14H2,1-3H3,(H,24,30).
What are the key properties of methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 458.58 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46279162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).