2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline

C24H18F3N5O2S — CID 130438539

IUPAC2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline
SMILESCCS(=O)(=O)c1cc(-c2ccc3ccccc3n2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C24H18F3N5O2S/c1-3-35(33,34)20-10-15(17-9-8-14-6-4-5-7-16(14)30-17)12-29-22(20)23-31-18-11-21(24(25,26)27)28-13-19(18)32(23)2/h4-13H,3H2,1-2H3
InChIKeyQDVDIPQVPOTTGJ-UHFFFAOYSA-N
MW497.50 g/mol
LogP5.06
Rot. Bonds4

About 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline

2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline (PubChem CID 130438539) has the molecular formula C24H18F3N5O2S and a molecular weight of 497.50 g/mol. Its IUPAC name is 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline
PubChem CID130438539
Molecular FormulaC24H18F3N5O2S
Molecular Weight497.50 g/mol
Exact Mass497.11
IUPAC Name2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline
SMILESCCS(=O)(=O)c1cc(-c2ccc3ccccc3n2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C24H18F3N5O2S/c1-3-35(33,34)20-10-15(17-9-8-14-6-4-5-7-16(14)30-17)12-29-22(20)23-31-18-11-21(24(25,26)27)28-13-19(18)32(23)2/h4-13H,3H2,1-2H3
InChIKeyQDVDIPQVPOTTGJ-UHFFFAOYSA-N
XLogP5.06
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline 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-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline?
The IUPAC name of 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline (CID 130438539) is 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline.
What is the SMILES notation for 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline?
The canonical SMILES for 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline is CCS(=O)(=O)c1cc(-c2ccc3ccccc3n2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline?
The InChIKey is QDVDIPQVPOTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2S/c1-3-35(33,34)20-10-15(17-9-8-14-6-4-5-7-16(14)30-17)12-29-22(20)23-31-18-11-21(24(25,26)27)28-13-19(18)32(23)2/h4-13H,3H2,1-2H3.
What are the key properties of 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline?
2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline has a molecular weight of 497.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]quinoline is sourced from PubChem (CID 130438539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).