N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide

C21H20N4O3S — CID 60621372

IUPACN,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(C)c3ccccc3Oc3ccccc3)cc12
InChIInChI=1S/C21H20N4O3S/c1-15-18-13-17(14-22-21(18)24(2)23-15)29(26,27)25(3)19-11-7-8-12-20(19)28-16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyGSQUTALAXZULCY-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.89
Rot. Bonds5

About N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide

N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 60621372) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID60621372
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(C)c3ccccc3Oc3ccccc3)cc12
InChIInChI=1S/C21H20N4O3S/c1-15-18-13-17(14-22-21(18)24(2)23-15)29(26,27)25(3)19-11-7-8-12-20(19)28-16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyGSQUTALAXZULCY-UHFFFAOYSA-N
XLogP3.89
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide (CID 60621372) is N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)N(C)c3ccccc3Oc3ccccc3)cc12.
What is the InChIKey of N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is GSQUTALAXZULCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-15-18-13-17(14-22-21(18)24(2)23-15)29(26,27)25(3)19-11-7-8-12-20(19)28-16-9-5-4-6-10-16/h4-14H,1-3H3.
What are the key properties of N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(2-phenoxyphenyl)pyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 60621372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).