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

C21H21N5O2 — CID 18586642

IUPACN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3cccc4ccccc34)cnc21
InChIInChI=1S/C21H21N5O2/c1-21(2,3)26-19-17(12-23-26)20(28)25(13-22-19)24-18(27)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12-13H,11H2,1-3H3,(H,24,27)
InChIKeyWUFSTRFIICMRJR-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.81
Rot. Bonds3

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

N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide (PubChem CID 18586642) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide
PubChem CID18586642
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3cccc4ccccc34)cnc21
InChIInChI=1S/C21H21N5O2/c1-21(2,3)26-19-17(12-23-26)20(28)25(13-22-19)24-18(27)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12-13H,11H2,1-3H3,(H,24,27)
InChIKeyWUFSTRFIICMRJR-UHFFFAOYSA-N
XLogP2.81
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide (CID 18586642) is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide is CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3cccc4ccccc34)cnc21.
What is the InChIKey of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is WUFSTRFIICMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-21(2,3)26-19-17(12-23-26)20(28)25(13-22-19)24-18(27)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12-13H,11H2,1-3H3,(H,24,27).
What are the key properties of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 375.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 18586642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).