N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H34N4O2S — CID 46272668

IUPACN-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)c1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2cccs2)C3=O)cc1
InChIInChI=1S/C28H34N4O2S/c1-19(2)20-11-13-21(14-12-20)24-16-25-26(33)31(17-23-10-7-15-35-23)28(3,18-32(25)30-24)27(34)29-22-8-5-4-6-9-22/h7,10-16,19,22H,4-6,8-9,17-18H2,1-3H3,(H,29,34)
InChIKeyWGKPFLBQEFZJRN-UHFFFAOYSA-N
MW490.67 g/mol
LogP5.60
Rot. Bonds6

About N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272668) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272668
Molecular FormulaC28H34N4O2S
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC NameN-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)c1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2cccs2)C3=O)cc1
InChIInChI=1S/C28H34N4O2S/c1-19(2)20-11-13-21(14-12-20)24-16-25-26(33)31(17-23-10-7-15-35-23)28(3,18-32(25)30-24)27(34)29-22-8-5-4-6-9-22/h7,10-16,19,22H,4-6,8-9,17-18H2,1-3H3,(H,29,34)
InChIKeyWGKPFLBQEFZJRN-UHFFFAOYSA-N
XLogP5.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.67
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272668) is N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)c1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(Cc2cccs2)C3=O)cc1.
What is the InChIKey of N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is WGKPFLBQEFZJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-19(2)20-11-13-21(14-12-20)24-16-25-26(33)31(17-23-10-7-15-35-23)28(3,18-32(25)30-24)27(34)29-22-8-5-4-6-9-22/h7,10-16,19,22H,4-6,8-9,17-18H2,1-3H3,(H,29,34).
What are the key properties of N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 490.67 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-4-oxo-2-(4-propan-2-ylphenyl)-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).