7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C16H21N7 — CID 146046099

IUPAC7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESc1cc(CN2CCN(CCn3cncn3)CC2)n2nccc2c1
InChIInChI=1S/C16H21N7/c1-2-15-4-5-18-23(15)16(3-1)12-21-8-6-20(7-9-21)10-11-22-14-17-13-19-22/h1-5,13-14H,6-12H2
InChIKeyNNCYUISHXLZIBF-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.74
Rot. Bonds5

About 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 146046099) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID146046099
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESc1cc(CN2CCN(CCn3cncn3)CC2)n2nccc2c1
InChIInChI=1S/C16H21N7/c1-2-15-4-5-18-23(15)16(3-1)12-21-8-6-20(7-9-21)10-11-22-14-17-13-19-22/h1-5,13-14H,6-12H2
InChIKeyNNCYUISHXLZIBF-UHFFFAOYSA-N
XLogP0.74
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 146046099) is 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is c1cc(CN2CCN(CCn3cncn3)CC2)n2nccc2c1.
What is the InChIKey of 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is NNCYUISHXLZIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-2-15-4-5-18-23(15)16(3-1)12-21-8-6-20(7-9-21)10-11-22-14-17-13-19-22/h1-5,13-14H,6-12H2.
What are the key properties of 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 311.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 146046099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).