2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C16H12F6N4O2S — CID 118148715

IUPAC2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ncc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H12F6N4O2S/c1-3-29(27,28)11-5-12(16(20,21)22)23-7-9(11)13-25-10-4-8(15(17,18)19)6-24-14(10)26(13)2/h4-7H,3H2,1-2H3
InChIKeyJWMZAAOLDMZWFI-UHFFFAOYSA-N
MW438.35 g/mol
LogP3.86
Rot. Bonds3

About 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 118148715) has the molecular formula C16H12F6N4O2S and a molecular weight of 438.35 g/mol. Its IUPAC name is 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID118148715
Molecular FormulaC16H12F6N4O2S
Molecular Weight438.35 g/mol
Exact Mass438.06
IUPAC Name2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ncc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H12F6N4O2S/c1-3-29(27,28)11-5-12(16(20,21)22)23-7-9(11)13-25-10-4-8(15(17,18)19)6-24-14(10)26(13)2/h4-7H,3H2,1-2H3
InChIKeyJWMZAAOLDMZWFI-UHFFFAOYSA-N
XLogP3.86
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 118148715) is 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1cc(C(F)(F)F)ncc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is JWMZAAOLDMZWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O2S/c1-3-29(27,28)11-5-12(16(20,21)22)23-7-9(11)13-25-10-4-8(15(17,18)19)6-24-14(10)26(13)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 438.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 118148715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).