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

C27H25N5O3S — CID 11352527

IUPAC4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)cc3[nH]2)c1
InChIInChI=1S/C27H25N5O3S/c1-32(22-6-4-3-5-7-22)36(33,34)24-11-8-19(9-12-24)20-16-25-27(29-18-20)31-26(30-25)13-10-21-17-23(35-2)14-15-28-21/h3-9,11-12,14-18H,10,13H2,1-2H3,(H,29,30,31)
InChIKeyDHAVKGIGNSTUSO-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.64
Rot. Bonds8

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

4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 11352527) has the molecular formula C27H25N5O3S and a molecular weight of 499.60 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID11352527
Molecular FormulaC27H25N5O3S
Molecular Weight499.60 g/mol
Exact Mass499.17
IUPAC Name4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)cc3[nH]2)c1
InChIInChI=1S/C27H25N5O3S/c1-32(22-6-4-3-5-7-22)36(33,34)24-11-8-19(9-12-24)20-16-25-27(29-18-20)31-26(30-25)13-10-21-17-23(35-2)14-15-28-21/h3-9,11-12,14-18H,10,13H2,1-2H3,(H,29,30,31)
InChIKeyDHAVKGIGNSTUSO-UHFFFAOYSA-N
XLogP4.64
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sulmazole
CID 5353
Tenatoprazole
CID 636411
Isomazole
CID 55690
Byk-191023
CID 10308091
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
4-((3-(6-Methoxypyridin-3-yl)imidazo[1,2-b]pyridazin-6-ylamino)methyl)benzenesulfonamide
CID 44530411
1H-Purine, 8-(2-methoxy-4-(methylsulfinyl)phenyl)-
CID 3059918
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
CID 10149857
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 10171540

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-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide (CID 11352527) is 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-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-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)c5ccccc5)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-methyl-N-phenylbenzenesulfonamide?
The InChIKey is DHAVKGIGNSTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3S/c1-32(22-6-4-3-5-7-22)36(33,34)24-11-8-19(9-12-24)20-16-25-27(29-18-20)31-26(30-25)13-10-21-17-23(35-2)14-15-28-21/h3-9,11-12,14-18H,10,13H2,1-2H3,(H,29,30,31).
What are the key properties of 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide?
4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 499.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 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-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 11352527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).