2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C14H14F3N5O2S — CID 175833312

IUPAC2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cn(C)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C14H14F3N5O2S/c1-4-25(23,24)10-7-21(2)20-12(10)13-19-8-5-11(14(15,16)17)18-6-9(8)22(13)3/h5-7H,4H2,1-3H3
InChIKeyCRPWALDILGQXHJ-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.18
Rot. Bonds3

About 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 175833312) has the molecular formula C14H14F3N5O2S and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID175833312
Molecular FormulaC14H14F3N5O2S
Molecular Weight373.36 g/mol
Exact Mass373.08
IUPAC Name2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cn(C)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C14H14F3N5O2S/c1-4-25(23,24)10-7-21(2)20-12(10)13-19-8-5-11(14(15,16)17)18-6-9(8)22(13)3/h5-7H,4H2,1-3H3
InChIKeyCRPWALDILGQXHJ-UHFFFAOYSA-N
XLogP2.18
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 175833312) is 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cn(C)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is CRPWALDILGQXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2S/c1-4-25(23,24)10-7-21(2)20-12(10)13-19-8-5-11(14(15,16)17)18-6-9(8)22(13)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 373.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 175833312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).