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

C24H34N4O2S2 — CID 92738613

IUPAC(6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCCSCCCN1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C24H34N4O2S2/c1-3-13-31-14-8-12-27-22(29)20-16-19(21-11-7-15-32-21)26-28(20)17-24(27,2)23(30)25-18-9-5-4-6-10-18/h7,11,15-16,18H,3-6,8-10,12-14,17H2,1-2H3,(H,25,30)/t24-/m0/s1
InChIKeyMHMREAFFNBKPOA-DEOSSOPVSA-N
MW474.70 g/mol
LogP4.81
Rot. Bonds9

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

(6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738613) has the molecular formula C24H34N4O2S2 and a molecular weight of 474.70 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92738613
Molecular FormulaC24H34N4O2S2
Molecular Weight474.70 g/mol
Exact Mass474.21
IUPAC Name(6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCCSCCCN1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C24H34N4O2S2/c1-3-13-31-14-8-12-27-22(29)20-16-19(21-11-7-15-32-21)26-28(20)17-24(27,2)23(30)25-18-9-5-4-6-10-18/h7,11,15-16,18H,3-6,8-10,12-14,17H2,1-2H3,(H,25,30)/t24-/m0/s1
InChIKeyMHMREAFFNBKPOA-DEOSSOPVSA-N
XLogP4.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.70
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-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

Related Compounds

(6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738602
N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272539
(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062748
(6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062696
(6R)-5-(4-chlorophenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738556
(6R)-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738578
(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062745
N-cyclohexyl-2-(4-ethylphenyl)-5-(2-methoxyethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172105
methyl (6R)-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744654
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272581
(6S)-N-cyclopentyl-5-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062693
(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062689

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738613) is (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCCSCCCN1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCCC1.
What is the InChIKey of (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is MHMREAFFNBKPOA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H34N4O2S2/c1-3-13-31-14-8-12-27-22(29)20-16-19(21-11-7-15-32-21)26-28(20)17-24(27,2)23(30)25-18-9-5-4-6-10-18/h7,11,15-16,18H,3-6,8-10,12-14,17H2,1-2H3,(H,25,30)/t24-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 474.70 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).