N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C18H21N5O2 — CID 3244301

IUPACN-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C18H21N5O2/c1-18(2,3)23-16-14(10-21-23)17(25)22(12-20-16)11-15(24)19-9-13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H,19,24)
InChIKeyARDBTQKGFYXLIS-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.66
Rot. Bonds4

About N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 3244301) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID3244301
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C18H21N5O2/c1-18(2,3)23-16-14(10-21-23)17(25)22(12-20-16)11-15(24)19-9-13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H,19,24)
InChIKeyARDBTQKGFYXLIS-UHFFFAOYSA-N
XLogP1.66
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 3244301) is N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21.
What is the InChIKey of N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is ARDBTQKGFYXLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-18(2,3)23-16-14(10-21-23)17(25)22(12-20-16)11-15(24)19-9-13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H,19,24).
What are the key properties of N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 3244301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).