5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine

C17H18F5N3O2S — CID 161370943

IUPAC5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncn(CC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C17H18F5N3O2S/c1-3-28(26,27)13-6-12(11-4-5-11)7-23-15(13)14-10(2)25(9-24-14)8-16(18,19)17(20,21)22/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyVQLHREDFSKNQBQ-UHFFFAOYSA-N
MW423.41 g/mol
LogP4.12
Rot. Bonds6

About 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine

5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine (PubChem CID 161370943) has the molecular formula C17H18F5N3O2S and a molecular weight of 423.41 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine
PubChem CID161370943
Molecular FormulaC17H18F5N3O2S
Molecular Weight423.41 g/mol
Exact Mass423.10
IUPAC Name5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncn(CC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C17H18F5N3O2S/c1-3-28(26,27)13-6-12(11-4-5-11)7-23-15(13)14-10(2)25(9-24-14)8-16(18,19)17(20,21)22/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyVQLHREDFSKNQBQ-UHFFFAOYSA-N
XLogP4.12
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-1-(2,2,3,3,3-pentafluoropropyl)pyrrolo[2,3-c]pyridine
CID 155102344
2-[5-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1-methylimidazol-2-yl]-5-cyclopropyl-3-ethylsulfonylpyridine
CID 166728806
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 155660470
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
CID 163697092
5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine
CID 168890738
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 118871958
2-[5-(5-cyclopropylpyrimidin-2-yl)-3-ethylsulfonyl-2-pyridinyl]-4-ethyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine
CID 167506540
2-[5-(5-cyclopropyl-2-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 168853998
2-[5-ethylsulfonyl-6-[3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 155690521
6-cyclopropyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 118973507
[2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-1,3-benzoxazol-5-yl]-ethylimino-oxo-(trifluoromethyl)-λ6-sulfane
CID 166038811
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155685769

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine?
The IUPAC name of 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine (CID 161370943) is 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine is CCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncn(CC(F)(F)C(F)(F)F)c1C.
What is the InChIKey of 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine?
The InChIKey is VQLHREDFSKNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F5N3O2S/c1-3-28(26,27)13-6-12(11-4-5-11)7-23-15(13)14-10(2)25(9-24-14)8-16(18,19)17(20,21)22/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine?
5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine has a molecular weight of 423.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 161370943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).