2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C21H16F3N7O2S — CID 130438512

IUPAC2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cccn3ncnc23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H16F3N7O2S/c1-3-34(32,33)16-7-12(13-5-4-6-31-19(13)27-11-28-31)9-26-18(16)20-29-14-8-17(21(22,23)24)25-10-15(14)30(20)2/h4-11H,3H2,1-2H3
InChIKeyFTAQYVUITDKTMW-UHFFFAOYSA-N
MW487.47 g/mol
LogP3.55
Rot. Bonds4

About 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130438512) has the molecular formula C21H16F3N7O2S and a molecular weight of 487.47 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130438512
Molecular FormulaC21H16F3N7O2S
Molecular Weight487.47 g/mol
Exact Mass487.10
IUPAC Name2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cccn3ncnc23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H16F3N7O2S/c1-3-34(32,33)16-7-12(13-5-4-6-31-19(13)27-11-28-31)9-26-18(16)20-29-14-8-17(21(22,23)24)25-10-15(14)30(20)2/h4-11H,3H2,1-2H3
InChIKeyFTAQYVUITDKTMW-UHFFFAOYSA-N
XLogP3.55
TPSA107.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130438512) is 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2cccn3ncnc23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is FTAQYVUITDKTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O2S/c1-3-34(32,33)16-7-12(13-5-4-6-31-19(13)27-11-28-31)9-26-18(16)20-29-14-8-17(21(22,23)24)25-10-15(14)30(20)2/h4-11H,3H2,1-2H3.
What are the key properties of 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 487.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130438512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).