7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

C18H19N7O2S — CID 168797888

IUPAC7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C18H19N7O2S/c1-13-9-17-20-12-22-25(17)11-15(13)14-3-7-23(8-4-14)28(26,27)16-10-21-24-6-2-5-19-18(16)24/h2,5-6,9-12,14H,3-4,7-8H2,1H3
InChIKeyOBFOZVUGZCHFNR-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.65
Rot. Bonds3

About 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797888) has the molecular formula C18H19N7O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797888
Molecular FormulaC18H19N7O2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC Name7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C18H19N7O2S/c1-13-9-17-20-12-22-25(17)11-15(13)14-3-7-23(8-4-14)28(26,27)16-10-21-24-6-2-5-19-18(16)24/h2,5-6,9-12,14H,3-4,7-8H2,1H3
InChIKeyOBFOZVUGZCHFNR-UHFFFAOYSA-N
XLogP1.65
TPSA97.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 168797888) is 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OBFOZVUGZCHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2S/c1-13-9-17-20-12-22-25(17)11-15(13)14-3-7-23(8-4-14)28(26,27)16-10-21-24-6-2-5-19-18(16)24/h2,5-6,9-12,14H,3-4,7-8H2,1H3.
What are the key properties of 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 397.46 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).