[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C17H18N6O3S — CID 16670549

IUPAC[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1cnc2ncnn2c1C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C17H18N6O3S/c1-27(25,26)14-9-19-17-20-11-21-23(17)15(14)12-5-4-8-22(10-12)16(24)13-6-2-3-7-18-13/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3
InChIKeyMJXNCCDANPMFPL-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.94
Rot. Bonds3

About [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 16670549) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID16670549
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1cnc2ncnn2c1C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C17H18N6O3S/c1-27(25,26)14-9-19-17-20-11-21-23(17)15(14)12-5-4-8-22(10-12)16(24)13-6-2-3-7-18-13/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3
InChIKeyMJXNCCDANPMFPL-UHFFFAOYSA-N
XLogP0.94
TPSA110.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 16670549) is [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone is CS(=O)(=O)c1cnc2ncnn2c1C1CCCN(C(=O)c2ccccn2)C1.
What is the InChIKey of [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MJXNCCDANPMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-27(25,26)14-9-19-17-20-11-21-23(17)15(14)12-5-4-8-22(10-12)16(24)13-6-2-3-7-18-13/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3.
What are the key properties of [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 386.44 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 16670549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).