5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine

C15H14F3N5O2S — CID 122446330

IUPAC5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(N)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C15H14F3N5O2S/c1-3-26(24,25)10-4-5-12(19)22-13(10)14-21-8-6-11(15(16,17)18)20-7-9(8)23(14)2/h4-7H,3H2,1-2H3,(H2,19,22)
InChIKeyXMIYVQNICVBMLR-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.42
Rot. Bonds3

About 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine

5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine (PubChem CID 122446330) has the molecular formula C15H14F3N5O2S and a molecular weight of 385.37 g/mol. Its IUPAC name is 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
PubChem CID122446330
Molecular FormulaC15H14F3N5O2S
Molecular Weight385.37 g/mol
Exact Mass385.08
IUPAC Name5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(N)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C15H14F3N5O2S/c1-3-26(24,25)10-4-5-12(19)22-13(10)14-21-8-6-11(15(16,17)18)20-7-9(8)23(14)2/h4-7H,3H2,1-2H3,(H2,19,22)
InChIKeyXMIYVQNICVBMLR-UHFFFAOYSA-N
XLogP2.42
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine (CID 122446330) is 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine is CCS(=O)(=O)c1ccc(N)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine?
The InChIKey is XMIYVQNICVBMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2S/c1-3-26(24,25)10-4-5-12(19)22-13(10)14-21-8-6-11(15(16,17)18)20-7-9(8)23(14)2/h4-7H,3H2,1-2H3,(H2,19,22).
What are the key properties of 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine?
5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine has a molecular weight of 385.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 122446330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).