N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C23H32N4O2S — CID 46272530

IUPACN-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)CCN1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C23H32N4O2S/c1-16(2)11-12-26-21(28)19-14-18(20-10-7-13-30-20)25-27(19)15-23(26,3)22(29)24-17-8-5-4-6-9-17/h7,10,13-14,16-17H,4-6,8-9,11-12,15H2,1-3H3,(H,24,29)
InChIKeyWARUQXUDZXMORA-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.32
Rot. Bonds6

About N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272530) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272530
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC NameN-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)CCN1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C23H32N4O2S/c1-16(2)11-12-26-21(28)19-14-18(20-10-7-13-30-20)25-27(19)15-23(26,3)22(29)24-17-8-5-4-6-9-17/h7,10,13-14,16-17H,4-6,8-9,11-12,15H2,1-3H3,(H,24,29)
InChIKeyWARUQXUDZXMORA-UHFFFAOYSA-N
XLogP4.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272530) is N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)CCN1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is WARUQXUDZXMORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-16(2)11-12-26-21(28)19-14-18(20-10-7-13-30-20)25-27(19)15-23(26,3)22(29)24-17-8-5-4-6-9-17/h7,10,13-14,16-17H,4-6,8-9,11-12,15H2,1-3H3,(H,24,29).
What are the key properties of N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-6-methyl-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.32, 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-5-(3-methylbutyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).