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

C24H34N4O2S2 — CID 46272540

IUPACN-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCCSCCCN1C(=O)c2cc(-c3cccs3)nn2CC1(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)
InChIKeyMHMREAFFNBKPOA-UHFFFAOYSA-N
MW474.70 g/mol
LogP4.81
Rot. Bonds9

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

N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272540) has the molecular formula C24H34N4O2S2 and a molecular weight of 474.70 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272540
Molecular FormulaC24H34N4O2S2
Molecular Weight474.70 g/mol
Exact Mass474.21
IUPAC NameN-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCCSCCCN1C(=O)c2cc(-c3cccs3)nn2CC1(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)
InChIKeyMHMREAFFNBKPOA-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 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 N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272540) is 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 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 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)nn2CC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
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 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 46272540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).