N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C22H28N6O2 — CID 139000235

IUPACN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)Cn3ncn4nccc4c3=O)CC2)cc1
InChIInChI=1S/C22H28N6O2/c1-22(2,3)16-4-6-18(7-5-16)26-12-9-17(10-13-26)25-20(29)14-27-21(30)19-8-11-23-28(19)15-24-27/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,25,29)
InChIKeyFNSWRYNWNRQSLW-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 139000235) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID139000235
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)Cn3ncn4nccc4c3=O)CC2)cc1
InChIInChI=1S/C22H28N6O2/c1-22(2,3)16-4-6-18(7-5-16)26-12-9-17(10-13-26)25-20(29)14-27-21(30)19-8-11-23-28(19)15-24-27/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,25,29)
InChIKeyFNSWRYNWNRQSLW-UHFFFAOYSA-N
XLogP1.97
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 139000235) is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is CC(C)(C)c1ccc(N2CCC(NC(=O)Cn3ncn4nccc4c3=O)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is FNSWRYNWNRQSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-22(2,3)16-4-6-18(7-5-16)26-12-9-17(10-13-26)25-20(29)14-27-21(30)19-8-11-23-28(19)15-24-27/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 408.51 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 139000235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).