N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H20N4O3S2 — CID 24581280

IUPACN-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C21H20N4O3S2/c1-13(2)25-20-17(12-22-25)16(11-18(24-20)19-5-4-10-29-19)21(26)23-14-6-8-15(9-7-14)30(3,27)28/h4-13H,1-3H3,(H,23,26)
InChIKeyFNAADSQRTFFGRD-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.40
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24581280) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24581280
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC NameN-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc(-c3cccs3)nc21
InChIInChI=1S/C21H20N4O3S2/c1-13(2)25-20-17(12-22-25)16(11-18(24-20)19-5-4-10-29-19)21(26)23-14-6-8-15(9-7-14)30(3,27)28/h4-13H,1-3H3,(H,23,26)
InChIKeyFNAADSQRTFFGRD-UHFFFAOYSA-N
XLogP4.40
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24581280) is N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc(-c3cccs3)nc21.
What is the InChIKey of N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FNAADSQRTFFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-13(2)25-20-17(12-22-25)16(11-18(24-20)19-5-4-10-29-19)21(26)23-14-6-8-15(9-7-14)30(3,27)28/h4-13H,1-3H3,(H,23,26).
What are the key properties of N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24581280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).