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

C15H13F3N4O2S — CID 66663776

IUPAC2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C15H13F3N4O2S/c1-3-25(23,24)12-8-19-5-4-10(12)13-21-11-6-9(15(16,17)18)7-20-14(11)22(13)2/h4-8H,3H2,1-2H3
InChIKeyKLDPGULUCJARMM-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.84
Rot. Bonds3

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

2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 66663776) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID66663776
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C15H13F3N4O2S/c1-3-25(23,24)12-8-19-5-4-10(12)13-21-11-6-9(15(16,17)18)7-20-14(11)22(13)2/h4-8H,3H2,1-2H3
InChIKeyKLDPGULUCJARMM-UHFFFAOYSA-N
XLogP2.84
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 66663776) is 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is KLDPGULUCJARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c1-3-25(23,24)12-8-19-5-4-10(12)13-21-11-6-9(15(16,17)18)7-20-14(11)22(13)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 370.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 66663776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).