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

C17H22N6O2S — CID 168797789

IUPAC7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILES[2H]C([2H])([2H])n1cc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)c(C)n1
InChIInChI=1S/C17H22N6O2S/c1-12-8-17-18-11-19-23(17)9-15(12)14-4-6-22(7-5-14)26(24,25)16-10-21(3)20-13(16)2/h8-11,14H,4-7H2,1-3H3/i3D3
InChIKeyORKIFPALZJFFDY-HPRDVNIFSA-N
MW377.49 g/mol
LogP1.65
Rot. Bonds4

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

7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797789) has the molecular formula C17H22N6O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797789
Molecular FormulaC17H22N6O2S
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC Name7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILES[2H]C([2H])([2H])n1cc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)c(C)n1
InChIInChI=1S/C17H22N6O2S/c1-12-8-17-18-11-19-23(17)9-15(12)14-4-6-22(7-5-14)26(24,25)16-10-21(3)20-13(16)2/h8-11,14H,4-7H2,1-3H3/i3D3
InChIKeyORKIFPALZJFFDY-HPRDVNIFSA-N
XLogP1.65
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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-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-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797755
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
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
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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 168797789) is 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is [2H]C([2H])([2H])n1cc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)c(C)n1.
What is the InChIKey of 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ORKIFPALZJFFDY-HPRDVNIFSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-12-8-17-18-11-19-23(17)9-15(12)14-4-6-22(7-5-14)26(24,25)16-10-21(3)20-13(16)2/h8-11,14H,4-7H2,1-3H3/i3D3.
What are the key properties of 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 377.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).