2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C22H17F3N6O2S — CID 130438528

IUPAC2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cnc3ccccn23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H17F3N6O2S/c1-3-34(32,33)17-8-13(15-11-27-19-6-4-5-7-31(15)19)10-28-20(17)21-29-14-9-18(22(23,24)25)26-12-16(14)30(21)2/h4-12H,3H2,1-2H3
InChIKeyIRMINHVCGHKRGY-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.16
Rot. Bonds4

About 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130438528) has the molecular formula C22H17F3N6O2S and a molecular weight of 486.48 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130438528
Molecular FormulaC22H17F3N6O2S
Molecular Weight486.48 g/mol
Exact Mass486.11
IUPAC Name2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cnc3ccccn23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H17F3N6O2S/c1-3-34(32,33)17-8-13(15-11-27-19-6-4-5-7-31(15)19)10-28-20(17)21-29-14-9-18(22(23,24)25)26-12-16(14)30(21)2/h4-12H,3H2,1-2H3
InChIKeyIRMINHVCGHKRGY-UHFFFAOYSA-N
XLogP4.16
TPSA95.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130438528) is 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2cnc3ccccn23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is IRMINHVCGHKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O2S/c1-3-34(32,33)17-8-13(15-11-27-19-6-4-5-7-31(15)19)10-28-20(17)21-29-14-9-18(22(23,24)25)26-12-16(14)30(21)2/h4-12H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 486.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130438528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).