6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C20H19F3N4O3S — CID 168797800

IUPAC6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCC(c2cn3ncnc3cc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N4O3S/c21-20(22,23)17-10-19-24-12-25-27(19)11-16(17)13-3-6-26(7-4-13)31(28,29)15-1-2-18-14(9-15)5-8-30-18/h1-2,9-13H,3-8H2
InChIKeyYPDJTYWWSKLUCM-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.25
Rot. Bonds3

About 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797800) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797800
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC Name6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCC(c2cn3ncnc3cc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N4O3S/c21-20(22,23)17-10-19-24-12-25-27(19)11-16(17)13-3-6-26(7-4-13)31(28,29)15-1-2-18-14(9-15)5-8-30-18/h1-2,9-13H,3-8H2
InChIKeyYPDJTYWWSKLUCM-UHFFFAOYSA-N
XLogP3.25
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168798119
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole
CID 168797541
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-(2,2,2-trifluoroethoxy)azetidine
CID 121175640
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889655
2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole
CID 126775746

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 168797800) is 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(c2cn3ncnc3cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YPDJTYWWSKLUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c21-20(22,23)17-10-19-24-12-25-27(19)11-16(17)13-3-6-26(7-4-13)31(28,29)15-1-2-18-14(9-15)5-8-30-18/h1-2,9-13H,3-8H2.
What are the key properties of 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 452.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).