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

C16H14N6O2S — CID 122694122

IUPAC7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc2nccn2cc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C16H14N6O2S/c1-10-8-14-17-6-7-22(14)9-12(10)11-4-3-5-13(25(2,23)24)15(11)16-18-20-21-19-16/h3-9H,1-2H3,(H,18,19,20,21)
InChIKeyIYFGOFUUSIUDFO-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.89
Rot. Bonds3

About 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine

7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 122694122) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine
PubChem CID122694122
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc2nccn2cc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C16H14N6O2S/c1-10-8-14-17-6-7-22(14)9-12(10)11-4-3-5-13(25(2,23)24)15(11)16-18-20-21-19-16/h3-9H,1-2H3,(H,18,19,20,21)
InChIKeyIYFGOFUUSIUDFO-UHFFFAOYSA-N
XLogP1.89
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139
5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
CID 122694052
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694234
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 122694364
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
CID 122694319
2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
CID 130230548
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
CID 122694079
N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 122694487

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine (CID 122694122) is 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine is Cc1cc2nccn2cc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is IYFGOFUUSIUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-10-8-14-17-6-7-22(14)9-12(10)11-4-3-5-13(25(2,23)24)15(11)16-18-20-21-19-16/h3-9H,1-2H3,(H,18,19,20,21).
What are the key properties of 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine?
7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 354.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 122694122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).