1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine

C17H15F3N8O2S — CID 129140353

IUPAC1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-n2cnc(N)n2)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H15F3N8O2S/c1-3-31(29,30)11-4-5-12(28-8-23-16(21)26-28)25-13(11)15-24-10-6-9(17(18,19)20)7-22-14(10)27(15)2/h4-8H,3H2,1-2H3,(H2,21,26)
InChIKeyOBPPHOOIAFSRAL-UHFFFAOYSA-N
MW452.42 g/mol
LogP2.01
Rot. Bonds4

About 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine

1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine (PubChem CID 129140353) has the molecular formula C17H15F3N8O2S and a molecular weight of 452.42 g/mol. Its IUPAC name is 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine
PubChem CID129140353
Molecular FormulaC17H15F3N8O2S
Molecular Weight452.42 g/mol
Exact Mass452.10
IUPAC Name1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-n2cnc(N)n2)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H15F3N8O2S/c1-3-31(29,30)11-4-5-12(28-8-23-16(21)26-28)25-13(11)15-24-10-6-9(17(18,19)20)7-22-14(10)27(15)2/h4-8H,3H2,1-2H3,(H2,21,26)
InChIKeyOBPPHOOIAFSRAL-UHFFFAOYSA-N
XLogP2.01
TPSA134.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-(3-bromo-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140360
1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine
CID 129130482
3-(4-chlorophenyl)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 178171012
2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 129130472
2-[3-ethylsulfonyl-5-(trimethoxymethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118570981
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715
2-[3-ethylsulfonyl-5-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134521194
3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-8-amine
CID 142305723
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
2-[1,2-bis(ethenyl)-5-ethylsulfonylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 168917633
5-chloro-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 118581452
6-(1,1-difluoroethyl)-3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine
CID 118581459

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine (CID 129140353) is 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine is CCS(=O)(=O)c1ccc(-n2cnc(N)n2)nc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine?
The InChIKey is OBPPHOOIAFSRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N8O2S/c1-3-31(29,30)11-4-5-12(28-8-23-16(21)26-28)25-13(11)15-24-10-6-9(17(18,19)20)7-22-14(10)27(15)2/h4-8H,3H2,1-2H3,(H2,21,26).
What are the key properties of 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine?
1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine has a molecular weight of 452.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 129140353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).