2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide

C22H14ClFN6O2S — CID 175721985

IUPAC2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1cc(-c2cnc3n[nH]c(-c4ccnc(F)c4)c3c2)cnc1Cl
InChIInChI=1S/C22H14ClFN6O2S/c23-21-16(15-3-1-2-4-18(15)33(25,31)32)7-13(10-27-21)14-8-17-20(29-30-22(17)28-11-14)12-5-6-26-19(24)9-12/h1-11H,(H2,25,31,32)(H,28,29,30)
InChIKeyQGLXQKAOCMLHCW-UHFFFAOYSA-N
MW480.91 g/mol
LogP4.19
Rot. Bonds4

About 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide

2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 175721985) has the molecular formula C22H14ClFN6O2S and a molecular weight of 480.91 g/mol. Its IUPAC name is 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID175721985
Molecular FormulaC22H14ClFN6O2S
Molecular Weight480.91 g/mol
Exact Mass480.06
IUPAC Name2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1cc(-c2cnc3n[nH]c(-c4ccnc(F)c4)c3c2)cnc1Cl
InChIInChI=1S/C22H14ClFN6O2S/c23-21-16(15-3-1-2-4-18(15)33(25,31)32)7-13(10-27-21)14-8-17-20(29-30-22(17)28-11-14)12-5-6-26-19(24)9-12/h1-11H,(H2,25,31,32)(H,28,29,30)
InChIKeyQGLXQKAOCMLHCW-UHFFFAOYSA-N
XLogP4.19
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]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 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (CID 175721985) is 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3n[nH]c(-c4ccnc(F)c4)c3c2)cnc1Cl.
What is the InChIKey of 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is QGLXQKAOCMLHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN6O2S/c23-21-16(15-3-1-2-4-18(15)33(25,31)32)7-13(10-27-21)14-8-17-20(29-30-22(17)28-11-14)12-5-6-26-19(24)9-12/h1-11H,(H2,25,31,32)(H,28,29,30).
What are the key properties of 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 480.91 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[3-(2-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 175721985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).