6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide

C20H16F3N5O3S — CID 176511028

IUPAC6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide
SMILESCOc1ncc2nc(C(F)(F)F)n(Cc3ccc(S(N)(=O)=O)cn3)c2c1-c1ccccc1
InChIInChI=1S/C20H16F3N5O3S/c1-31-18-16(12-5-3-2-4-6-12)17-15(10-26-18)27-19(20(21,22)23)28(17)11-13-7-8-14(9-25-13)32(24,29)30/h2-10H,11H2,1H3,(H2,24,29,30)
InChIKeyDLOBRUWWDBFSQQ-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.22
Rot. Bonds5

About 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide

6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide (PubChem CID 176511028) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide
PubChem CID176511028
Molecular FormulaC20H16F3N5O3S
Molecular Weight463.44 g/mol
Exact Mass463.09
IUPAC Name6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide
SMILESCOc1ncc2nc(C(F)(F)F)n(Cc3ccc(S(N)(=O)=O)cn3)c2c1-c1ccccc1
InChIInChI=1S/C20H16F3N5O3S/c1-31-18-16(12-5-3-2-4-6-12)17-15(10-26-18)27-19(20(21,22)23)28(17)11-13-7-8-14(9-25-13)32(24,29)30/h2-10H,11H2,1H3,(H2,24,29,30)
InChIKeyDLOBRUWWDBFSQQ-UHFFFAOYSA-N
XLogP3.22
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

2,4-difluoro-N-[2-methoxy-5-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 118352671
1H-Imidazole-4-sulfonamide, N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-
CID 25212177
N-[1-[8-(2-chlorophenyl)-9-[6-(difluoromethoxy)-3-pyridinyl]purin-6-yl]piperidin-4-yl]-2-fluorobenzenesulfonamide
CID 155514861
2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 155548197
4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 24985568
6-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]pyridine-3-sulfonamide
CID 24985569
6-(3-cyano-1-cyclobutyl-6-methoxy-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49783095
2-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-isopropyl-pyrimidine-5-sulfonamide
CID 66730724
6-[3-cyano-6-(difluoromethoxy)-1-pyrimidin-2-yl-indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733285
6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-pyrimidin-2-yl-indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 76314459
N-[5-(2-Amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76321298
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118321320

Frequently Asked Questions

What is the IUPAC name of 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide (CID 176511028) is 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide is COc1ncc2nc(C(F)(F)F)n(Cc3ccc(S(N)(=O)=O)cn3)c2c1-c1ccccc1.
What is the InChIKey of 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is DLOBRUWWDBFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c1-31-18-16(12-5-3-2-4-6-12)17-15(10-26-18)27-19(20(21,22)23)28(17)11-13-7-8-14(9-25-13)32(24,29)30/h2-10H,11H2,1H3,(H2,24,29,30).
What are the key properties of 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide?
6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 463.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-methoxy-7-phenyl-2-(trifluoromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 176511028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).