7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C18H24N6O2S — CID 168798158

IUPAC7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C18H24N6O2S/c1-12-9-17-19-11-20-24(17)10-16(12)15-5-7-23(8-6-15)27(25,26)18-13(2)21-22(4)14(18)3/h9-11,15H,5-8H2,1-4H3
InChIKeyQTOFUKWGMNKDSC-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.96
Rot. Bonds3

About 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168798158) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168798158
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C18H24N6O2S/c1-12-9-17-19-11-20-24(17)10-16(12)15-5-7-23(8-6-15)27(25,26)18-13(2)21-22(4)14(18)3/h9-11,15H,5-8H2,1-4H3
InChIKeyQTOFUKWGMNKDSC-UHFFFAOYSA-N
XLogP1.96
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 168798158) is 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QTOFUKWGMNKDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-12-9-17-19-11-20-24(17)10-16(12)15-5-7-23(8-6-15)27(25,26)18-13(2)21-22(4)14(18)3/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 388.50 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168798158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).