3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide

C23H19N7O2S — CID 70684898

IUPAC3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-c3nn(Cc4cccnc4)c4ccccc34)n2)c1
InChIInChI=1S/C23H19N7O2S/c24-33(31,32)18-7-3-6-17(13-18)27-23-26-12-10-20(28-23)22-19-8-1-2-9-21(19)30(29-22)15-16-5-4-11-25-14-16/h1-14H,15H2,(H2,24,31,32)(H,26,27,28)
InChIKeyLDBOYZUPWICGFP-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.33
Rot. Bonds6

About 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide

3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 70684898) has the molecular formula C23H19N7O2S and a molecular weight of 457.52 g/mol. Its IUPAC name is 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID70684898
Molecular FormulaC23H19N7O2S
Molecular Weight457.52 g/mol
Exact Mass457.13
IUPAC Name3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-c3nn(Cc4cccnc4)c4ccccc34)n2)c1
InChIInChI=1S/C23H19N7O2S/c24-33(31,32)18-7-3-6-17(13-18)27-23-26-12-10-20(28-23)22-19-8-1-2-9-21(19)30(29-22)15-16-5-4-11-25-14-16/h1-14H,15H2,(H2,24,31,32)(H,26,27,28)
InChIKeyLDBOYZUPWICGFP-UHFFFAOYSA-N
XLogP3.33
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide 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 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide (CID 70684898) is 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nccc(-c3nn(Cc4cccnc4)c4ccccc34)n2)c1.
What is the InChIKey of 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is LDBOYZUPWICGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S/c24-33(31,32)18-7-3-6-17(13-18)27-23-26-12-10-20(28-23)22-19-8-1-2-9-21(19)30(29-22)15-16-5-4-11-25-14-16/h1-14H,15H2,(H2,24,31,32)(H,26,27,28).
What are the key properties of 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 457.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 70684898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).