7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C16H19ClN6O3S — CID 168797755

IUPAC7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)cnn1C
InChIInChI=1S/C16H19ClN6O3S/c1-21-16(26-2)14(8-19-21)27(24,25)22-5-3-11(4-6-22)12-9-23-15(7-13(12)17)18-10-20-23/h7-11H,3-6H2,1-2H3
InChIKeyMVNKIFXUNIQMDL-UHFFFAOYSA-N
MW410.89 g/mol
LogP1.69
Rot. Bonds4

About 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797755) has the molecular formula C16H19ClN6O3S and a molecular weight of 410.89 g/mol. Its IUPAC name is 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797755
Molecular FormulaC16H19ClN6O3S
Molecular Weight410.89 g/mol
Exact Mass410.09
IUPAC Name7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)cnn1C
InChIInChI=1S/C16H19ClN6O3S/c1-21-16(26-2)14(8-19-21)27(24,25)22-5-3-11(4-6-22)12-9-23-15(7-13(12)17)18-10-20-23/h7-11H,3-6H2,1-2H3
InChIKeyMVNKIFXUNIQMDL-UHFFFAOYSA-N
XLogP1.69
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1-methylpyrazol-5-yl]acetonitrile
CID 168797792
7-chloro-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 168797936
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
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
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 168797619
7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797888
7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168798158
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
7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797789
7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797544
6-[1-(5-chloro-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methylimidazo[1,2-a]pyridine
CID 168797578
7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 167525561

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 168797755) is 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)cnn1C.
What is the InChIKey of 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MVNKIFXUNIQMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O3S/c1-21-16(26-2)14(8-19-21)27(24,25)22-5-3-11(4-6-22)12-9-23-15(7-13(12)17)18-10-20-23/h7-11H,3-6H2,1-2H3.
What are the key properties of 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 410.89 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).