6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

C16H11F3N6O2S — CID 122694364

IUPAC6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H11F3N6O2S/c1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9/h2-8H,1H3,(H,21,22,23,24)
InChIKeyWWGSJYGHUAIUGZ-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.60
Rot. Bonds3

About 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 122694364) has the molecular formula C16H11F3N6O2S and a molecular weight of 408.37 g/mol. Its IUPAC name is 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID122694364
Molecular FormulaC16H11F3N6O2S
Molecular Weight408.37 g/mol
Exact Mass408.06
IUPAC Name6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H11F3N6O2S/c1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9/h2-8H,1H3,(H,21,22,23,24)
InChIKeyWWGSJYGHUAIUGZ-UHFFFAOYSA-N
XLogP2.60
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (CID 122694364) is 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1.
What is the InChIKey of 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is WWGSJYGHUAIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O2S/c1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9/h2-8H,1H3,(H,21,22,23,24).
What are the key properties of 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 408.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 122694364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).