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

C21H23FN4O3S — CID 168797679

IUPAC6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cc3c(cc2F)OCC3C)CC1
InChIInChI=1S/C21H23FN4O3S/c1-13-7-21-23-12-24-26(21)10-17(13)15-3-5-25(6-4-15)30(27,28)20-8-16-14(2)11-29-19(16)9-18(20)22/h7-10,12,14-15H,3-6,11H2,1-2H3
InChIKeyTWSJRWTWECQDBG-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.24
Rot. Bonds3

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

6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797679) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797679
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cc3c(cc2F)OCC3C)CC1
InChIInChI=1S/C21H23FN4O3S/c1-13-7-21-23-12-24-26(21)10-17(13)15-3-5-25(6-4-15)30(27,28)20-8-16-14(2)11-29-19(16)9-18(20)22/h7-10,12,14-15H,3-6,11H2,1-2H3
InChIKeyTWSJRWTWECQDBG-UHFFFAOYSA-N
XLogP3.24
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797752
6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797704
7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797789
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
7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168798158
7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797888
5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole
CID 168797919
7-fluoro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797494
1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole
CID 168797541
6-chloro-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 168797834
6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 168797546
2-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-5-methyl-1,3,4-oxadiazole
CID 162361079

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 168797679) is 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cc3c(cc2F)OCC3C)CC1.
What is the InChIKey of 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is TWSJRWTWECQDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-13-7-21-23-12-24-26(21)10-17(13)15-3-5-25(6-4-15)30(27,28)20-8-16-14(2)11-29-19(16)9-18(20)22/h7-10,12,14-15H,3-6,11H2,1-2H3.
What are the key properties of 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 430.51 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).