4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide

C23H22F3N5O4S — CID 11191624

IUPAC4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)C)cc4OC(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C23H22F3N5O4S/c1-31(2)36(32,33)17-5-6-18(20(12-17)35-23(24,25)26)14-10-19-22(28-13-14)30-21(29-19)7-4-15-11-16(34-3)8-9-27-15/h5-6,8-13H,4,7H2,1-3H3,(H,28,29,30)
InChIKeyLJVBNEUNTNJBFH-UHFFFAOYSA-N
MW521.52 g/mol
LogP3.96
Rot. Bonds8

About 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide

4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 11191624) has the molecular formula C23H22F3N5O4S and a molecular weight of 521.52 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID11191624
Molecular FormulaC23H22F3N5O4S
Molecular Weight521.52 g/mol
Exact Mass521.13
IUPAC Name4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)C)cc4OC(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C23H22F3N5O4S/c1-31(2)36(32,33)17-5-6-18(20(12-17)35-23(24,25)26)14-10-19-22(28-13-14)30-21(29-19)7-4-15-11-16(34-3)8-9-27-15/h5-6,8-13H,4,7H2,1-3H3,(H,28,29,30)
InChIKeyLJVBNEUNTNJBFH-UHFFFAOYSA-N
XLogP3.96
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

Sulmazole
CID 5353
Isomazole
CID 55690
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
Isomazole Hydrochloride
CID 55689
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
4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490
N-(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 50925576
4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90412625

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,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide (CID 11191624) is 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)C)cc4OC(F)(F)F)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,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LJVBNEUNTNJBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O4S/c1-31(2)36(32,33)17-5-6-18(20(12-17)35-23(24,25)26)14-10-19-22(28-13-14)30-21(29-19)7-4-15-11-16(34-3)8-9-27-15/h5-6,8-13H,4,7H2,1-3H3,(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,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide?
4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 521.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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,N-dimethyl-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 11191624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).