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

C22H26N4O3S — CID 168797704

IUPAC6-[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
SMILESCc1cc2c(cc1S(=O)(=O)N1CCC(c3cc(C)c4ncnn4c3)CC1)C(C)CO2
InChIInChI=1S/C22H26N4O3S/c1-14-9-20-19(16(3)12-29-20)10-21(14)30(27,28)25-6-4-17(5-7-25)18-8-15(2)22-23-13-24-26(22)11-18/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKeyZOYRMPQSAZSVLO-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.41
Rot. Bonds3

About 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

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 (PubChem CID 168797704) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID168797704
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name6-[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
SMILESCc1cc2c(cc1S(=O)(=O)N1CCC(c3cc(C)c4ncnn4c3)CC1)C(C)CO2
InChIInChI=1S/C22H26N4O3S/c1-14-9-20-19(16(3)12-29-20)10-21(14)30(27,28)25-6-4-17(5-7-25)18-8-15(2)22-23-13-24-26(22)11-18/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKeyZOYRMPQSAZSVLO-UHFFFAOYSA-N
XLogP3.41
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(cc1S(=O)(=O)N1CCC(c3cc(C)c4ncnn4c3)CC1)C(C)CO2.
What is the InChIKey of 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?
The InChIKey is ZOYRMPQSAZSVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14-9-20-19(16(3)12-29-20)10-21(14)30(27,28)25-6-4-17(5-7-25)18-8-15(2)22-23-13-24-26(22)11-18/h8-11,13,16-17H,4-7,12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 426.54 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168797704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).