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

C19H21F3N4O3S2 — CID 135368783

IUPAC2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(OCCCSC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H21F3N4O3S2/c1-4-31(27,28)15-8-12(29-6-5-7-30-3)10-24-17(15)18-25-13-9-16(19(20,21)22)23-11-14(13)26(18)2/h8-11H,4-7H2,1-3H3
InChIKeyJDLUQBPUXUUMJX-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.97
Rot. Bonds8

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

2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135368783) has the molecular formula C19H21F3N4O3S2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135368783
Molecular FormulaC19H21F3N4O3S2
Molecular Weight474.53 g/mol
Exact Mass474.10
IUPAC Name2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(OCCCSC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H21F3N4O3S2/c1-4-31(27,28)15-8-12(29-6-5-7-30-3)10-24-17(15)18-25-13-9-16(19(20,21)22)23-11-14(13)26(18)2/h8-11H,4-7H2,1-3H3
InChIKeyJDLUQBPUXUUMJX-UHFFFAOYSA-N
XLogP3.97
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-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

Related Compounds

AZ-11713908
CID 57390958
3-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-5-methoxy-pyridine
CID 10786970
US10059713, Example 162
CID 129187085
5,6-difluoro-1-methyl-N-[(E)-1-[5-(3-methylsulfonylpropoxy)-2-pyridinyl]ethylideneamino]benzimidazol-2-amine
CID 177654860
US20250346593, Example 313
CID 170434993
US20240254114, Example 72
CID 171655175
US20240254114, Example 89
CID 171655219
US20240254114, Example 68
CID 171655322
US20240254114, Example 77
CID 171655439
US20240254114, Example 71
CID 171655453
US20240254114, Example 81
CID 171655567
US20250346593, Example 334
CID 176301623

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135368783) is 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(OCCCSC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is JDLUQBPUXUUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S2/c1-4-31(27,28)15-8-12(29-6-5-7-30-3)10-24-17(15)18-25-13-9-16(19(20,21)22)23-11-14(13)26(18)2/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 474.53 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(3-methylsulfanylpropoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135368783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).