1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone

C21H28N8O — CID 118466929

IUPAC1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC1
InChIInChI=1S/C21H28N8O/c1-15(30)27-9-7-18(8-10-27)28-12-17(11-23-28)25-20-21-22-14-24-29(21)13-19(26-20)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H,25,26)
InChIKeyGSPIBTXUBPMZQG-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.30
Rot. Bonds4

About 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 118466929) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID118466929
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC1
InChIInChI=1S/C21H28N8O/c1-15(30)27-9-7-18(8-10-27)28-12-17(11-23-28)25-20-21-22-14-24-29(21)13-19(26-20)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H,25,26)
InChIKeyGSPIBTXUBPMZQG-UHFFFAOYSA-N
XLogP3.30
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 118466929) is 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is GSPIBTXUBPMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-15(30)27-9-7-18(8-10-27)28-12-17(11-23-28)25-20-21-22-14-24-29(21)13-19(26-20)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H,25,26).
What are the key properties of 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 408.51 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118466929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).