2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine

C17H18F3N5O3S — CID 135229247

IUPAC2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc(C2CC2)n1C
InChIInChI=1S/C17H18F3N5O3S/c1-4-29(26,27)16-12(23-13(25(16)3)9-5-6-9)15-22-11-7-10(28-17(18,19)20)8-21-14(11)24(15)2/h7-9H,4-6H2,1-3H3
InChIKeyBCQXOIYZWZQKJW-UHFFFAOYSA-N
MW429.42 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine

2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (PubChem CID 135229247) has the molecular formula C17H18F3N5O3S and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
PubChem CID135229247
Molecular FormulaC17H18F3N5O3S
Molecular Weight429.42 g/mol
Exact Mass429.11
IUPAC Name2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc(C2CC2)n1C
InChIInChI=1S/C17H18F3N5O3S/c1-4-29(26,27)16-12(23-13(25(16)3)9-5-6-9)15-22-11-7-10(28-17(18,19)20)8-21-14(11)24(15)2/h7-9H,4-6H2,1-3H3
InChIKeyBCQXOIYZWZQKJW-UHFFFAOYSA-N
XLogP2.94
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]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-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (CID 135229247) is 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(OC(F)(F)F)cnc3n2C)nc(C2CC2)n1C.
What is the InChIKey of 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The InChIKey is BCQXOIYZWZQKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O3S/c1-4-29(26,27)16-12(23-13(25(16)3)9-5-6-9)15-22-11-7-10(28-17(18,19)20)8-21-14(11)24(15)2/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine has a molecular weight of 429.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine is sourced from PubChem (CID 135229247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).