2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole

C17H19N7S — CID 166922997

IUPAC2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
SMILESCc1cn2nc(-n3cc4cc(C5CCNCC5)sc4n3)nc2c(C)n1
InChIInChI=1S/C17H19N7S/c1-10-8-23-15(11(2)19-10)20-17(22-23)24-9-13-7-14(25-16(13)21-24)12-3-5-18-6-4-12/h7-9,12,18H,3-6H2,1-2H3
InChIKeyHRUVOLIQKLHSBQ-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.61
Rot. Bonds2

About 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole

2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole (PubChem CID 166922997) has the molecular formula C17H19N7S and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole.

Molecular Properties

Compound Name2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
PubChem CID166922997
Molecular FormulaC17H19N7S
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC Name2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
SMILESCc1cn2nc(-n3cc4cc(C5CCNCC5)sc4n3)nc2c(C)n1
InChIInChI=1S/C17H19N7S/c1-10-8-23-15(11(2)19-10)20-17(22-23)24-9-13-7-14(25-16(13)21-24)12-3-5-18-6-4-12/h7-9,12,18H,3-6H2,1-2H3
InChIKeyHRUVOLIQKLHSBQ-UHFFFAOYSA-N
XLogP2.61
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
The IUPAC name of 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole (CID 166922997) is 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole.
What is the SMILES notation for 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
The canonical SMILES for 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole is Cc1cn2nc(-n3cc4cc(C5CCNCC5)sc4n3)nc2c(C)n1.
What is the InChIKey of 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
The InChIKey is HRUVOLIQKLHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7S/c1-10-8-23-15(11(2)19-10)20-17(22-23)24-9-13-7-14(25-16(13)21-24)12-3-5-18-6-4-12/h7-9,12,18H,3-6H2,1-2H3.
What are the key properties of 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole?
2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole has a molecular weight of 353.46 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole is sourced from PubChem (CID 166922997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).