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

C26H23N5O3S — CID 11155980

IUPAC4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)Nc5ccccc5)cc4)cc3[nH]2)c1
InChIInChI=1S/C26H23N5O3S/c1-34-22-13-14-27-21(16-22)9-12-25-29-24-15-19(17-28-26(24)30-25)18-7-10-23(11-8-18)35(32,33)31-20-5-3-2-4-6-20/h2-8,10-11,13-17,31H,9,12H2,1H3,(H,28,29,30)
InChIKeyCHVLLOYBRQEGEM-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.61
Rot. Bonds8

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

4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide (PubChem CID 11155980) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide
PubChem CID11155980
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)Nc5ccccc5)cc4)cc3[nH]2)c1
InChIInChI=1S/C26H23N5O3S/c1-34-22-13-14-27-21(16-22)9-12-25-29-24-15-19(17-28-26(24)30-25)18-7-10-23(11-8-18)35(32,33)31-20-5-3-2-4-6-20/h2-8,10-11,13-17,31H,9,12H2,1H3,(H,28,29,30)
InChIKeyCHVLLOYBRQEGEM-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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide (CID 11155980) is 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)Nc5ccccc5)cc4)cc3[nH]2)c1.
What is the InChIKey of 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide?
The InChIKey is CHVLLOYBRQEGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-34-22-13-14-27-21(16-22)9-12-25-29-24-15-19(17-28-26(24)30-25)18-7-10-23(11-8-18)35(32,33)31-20-5-3-2-4-6-20/h2-8,10-11,13-17,31H,9,12H2,1H3,(H,28,29,30).
What are the key properties of 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide?
4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide 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 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 11155980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).