4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide

C22H22N6O2S — CID 57392066

IUPAC4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C22H22N6O2S/c23-31(29,30)18-7-3-15(4-8-18)20-10-9-19-21(26-27-22(19)25-20)16-1-5-17(6-2-16)28-13-11-24-12-14-28/h1-10,24H,11-14H2,(H2,23,29,30)(H,25,26,27)
InChIKeySDMQGXJEZCHCAT-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.35
Rot. Bonds4

About 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide

4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide (PubChem CID 57392066) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide
PubChem CID57392066
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C22H22N6O2S/c23-31(29,30)18-7-3-15(4-8-18)20-10-9-19-21(26-27-22(19)25-20)16-1-5-17(6-2-16)28-13-11-24-12-14-28/h1-10,24H,11-14H2,(H2,23,29,30)(H,25,26,27)
InChIKeySDMQGXJEZCHCAT-UHFFFAOYSA-N
XLogP2.35
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide (CID 57392066) is 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1.
What is the InChIKey of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide?
The InChIKey is SDMQGXJEZCHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c23-31(29,30)18-7-3-15(4-8-18)20-10-9-19-21(26-27-22(19)25-20)16-1-5-17(6-2-16)28-13-11-24-12-14-28/h1-10,24H,11-14H2,(H2,23,29,30)(H,25,26,27).
What are the key properties of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide?
4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide has a molecular weight of 434.53 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide is sourced from PubChem (CID 57392066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).