N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H24N4O3S2 — CID 39208017

IUPACN-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(S(=O)(=O)C4CCCC4)c3)c12
InChIInChI=1S/C24H24N4O3S2/c1-15-22-19(14-20(21-11-6-12-32-21)26-23(22)28(2)27-15)24(29)25-16-7-5-10-18(13-16)33(30,31)17-8-3-4-9-17/h5-7,10-14,17H,3-4,8-9H2,1-2H3,(H,25,29)
InChIKeyUQBXREYNSPMLOY-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.97
Rot. Bonds5

About N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39208017) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39208017
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(S(=O)(=O)C4CCCC4)c3)c12
InChIInChI=1S/C24H24N4O3S2/c1-15-22-19(14-20(21-11-6-12-32-21)26-23(22)28(2)27-15)24(29)25-16-7-5-10-18(13-16)33(30,31)17-8-3-4-9-17/h5-7,10-14,17H,3-4,8-9H2,1-2H3,(H,25,29)
InChIKeyUQBXREYNSPMLOY-UHFFFAOYSA-N
XLogP4.97
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 39208017) is N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(S(=O)(=O)C4CCCC4)c3)c12.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UQBXREYNSPMLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-15-22-19(14-20(21-11-6-12-32-21)26-23(22)28(2)27-15)24(29)25-16-7-5-10-18(13-16)33(30,31)17-8-3-4-9-17/h5-7,10-14,17H,3-4,8-9H2,1-2H3,(H,25,29).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39208017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).