5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H29ClN4O2S — CID 46272515

IUPAC5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN4O2S/c1-26(25(33)28-20-6-3-2-4-7-20)17-31-22(16-21(29-31)23-8-5-15-34-23)24(32)30(26)14-13-18-9-11-19(27)12-10-18/h5,8-12,15-16,20H,2-4,6-7,13-14,17H2,1H3,(H,28,33)
InChIKeyLOMLEXUQFOVILL-UHFFFAOYSA-N
MW497.06 g/mol
LogP5.17
Rot. Bonds6

About 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272515) has the molecular formula C26H29ClN4O2S and a molecular weight of 497.06 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272515
Molecular FormulaC26H29ClN4O2S
Molecular Weight497.06 g/mol
Exact Mass496.17
IUPAC Name5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN4O2S/c1-26(25(33)28-20-6-3-2-4-7-20)17-31-22(16-21(29-31)23-8-5-15-34-23)24(32)30(26)14-13-18-9-11-19(27)12-10-18/h5,8-12,15-16,20H,2-4,6-7,13-14,17H2,1H3,(H,28,33)
InChIKeyLOMLEXUQFOVILL-UHFFFAOYSA-N
XLogP5.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.06
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272515) is 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1CCc1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is LOMLEXUQFOVILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2S/c1-26(25(33)28-20-6-3-2-4-7-20)17-31-22(16-21(29-31)23-8-5-15-34-23)24(32)30(26)14-13-18-9-11-19(27)12-10-18/h5,8-12,15-16,20H,2-4,6-7,13-14,17H2,1H3,(H,28,33).
What are the key properties of 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 497.06 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).