1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole

C19H21N7O2S — CID 168797541

IUPAC1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1
InChIInChI=1S/C19H21N7O2S/c1-13-9-19-20-12-21-26(19)11-16(13)14-5-7-25(8-6-14)29(27,28)15-3-4-18-17(10-15)22-23-24(18)2/h3-4,9-12,14H,5-8H2,1-2H3
InChIKeyZKVJQKGSCJIETO-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.89
Rot. Bonds3

About 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole

1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole (PubChem CID 168797541) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole.

Molecular Properties

Compound Name1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole
PubChem CID168797541
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1
InChIInChI=1S/C19H21N7O2S/c1-13-9-19-20-12-21-26(19)11-16(13)14-5-7-25(8-6-14)29(27,28)15-3-4-18-17(10-15)22-23-24(18)2/h3-4,9-12,14H,5-8H2,1-2H3
InChIKeyZKVJQKGSCJIETO-UHFFFAOYSA-N
XLogP1.89
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797789
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-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-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797800
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]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
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
6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole
CID 168798198

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole?
The IUPAC name of 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole (CID 168797541) is 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole.
What is the SMILES notation for 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole?
The canonical SMILES for 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole is Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1.
What is the InChIKey of 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole?
The InChIKey is ZKVJQKGSCJIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c1-13-9-19-20-12-21-26(19)11-16(13)14-5-7-25(8-6-14)29(27,28)15-3-4-18-17(10-15)22-23-24(18)2/h3-4,9-12,14H,5-8H2,1-2H3.
What are the key properties of 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole?
1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole has a molecular weight of 411.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole is sourced from PubChem (CID 168797541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).