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

C17H14F6N4O3S — CID 121291603

IUPAC2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)nc(OC)c2n1C
InChIInChI=1S/C17H14F6N4O3S/c1-4-31(28,29)10-5-8(16(18,19)20)7-24-12(10)14-25-9-6-11(17(21,22)23)26-15(30-3)13(9)27(14)2/h5-7H,4H2,1-3H3
InChIKeySYBGAEHISFUAHQ-UHFFFAOYSA-N
MW468.38 g/mol
LogP3.87
Rot. Bonds4

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

2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 121291603) has the molecular formula C17H14F6N4O3S and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID121291603
Molecular FormulaC17H14F6N4O3S
Molecular Weight468.38 g/mol
Exact Mass468.07
IUPAC Name2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)nc(OC)c2n1C
InChIInChI=1S/C17H14F6N4O3S/c1-4-31(28,29)10-5-8(16(18,19)20)7-24-12(10)14-25-9-6-11(17(21,22)23)26-15(30-3)13(9)27(14)2/h5-7H,4H2,1-3H3
InChIKeySYBGAEHISFUAHQ-UHFFFAOYSA-N
XLogP3.87
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 121291603) is 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)nc(OC)c2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is SYBGAEHISFUAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N4O3S/c1-4-31(28,29)10-5-8(16(18,19)20)7-24-12(10)14-25-9-6-11(17(21,22)23)26-15(30-3)13(9)27(14)2/h5-7H,4H2,1-3H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 468.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 121291603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).