N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide

C26H23N5O3S — CID 10128089

IUPACN-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)cc3[nH]2)c1
InChIInChI=1S/C26H23N5O3S/c1-34-22-13-14-27-21(16-22)11-12-25-29-24-15-19(17-28-26(24)30-25)18-7-9-20(10-8-18)31-35(32,33)23-5-3-2-4-6-23/h2-10,13-17,31H,11-12H2,1H3,(H,28,29,30)
InChIKeyRYRUKBXYEFKHSG-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.61
Rot. Bonds8

About N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide

N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide (PubChem CID 10128089) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide
PubChem CID10128089
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC NameN-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)cc3[nH]2)c1
InChIInChI=1S/C26H23N5O3S/c1-34-22-13-14-27-21(16-22)11-12-25-29-24-15-19(17-28-26(24)30-25)18-7-9-20(10-8-18)31-35(32,33)23-5-3-2-4-6-23/h2-10,13-17,31H,11-12H2,1H3,(H,28,29,30)
InChIKeyRYRUKBXYEFKHSG-UHFFFAOYSA-N
XLogP4.61
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]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 N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide (CID 10128089) is N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide is COc1ccnc(CCc2nc3ncc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)cc3[nH]2)c1.
What is the InChIKey of N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is RYRUKBXYEFKHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-34-22-13-14-27-21(16-22)11-12-25-29-24-15-19(17-28-26(24)30-25)18-7-9-20(10-8-18)31-35(32,33)23-5-3-2-4-6-23/h2-10,13-17,31H,11-12H2,1H3,(H,28,29,30).
What are the key properties of N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide?
N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 485.57 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10128089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).