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

C16H19N5O3 — CID 3242504

IUPAC2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccco3)cnc21
InChIInChI=1S/C16H19N5O3/c1-16(2,3)21-14-12(8-19-21)15(23)20(10-18-14)9-13(22)17-7-11-5-4-6-24-11/h4-6,8,10H,7,9H2,1-3H3,(H,17,22)
InChIKeyDVUILMVGYSNGIM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.26
Rot. Bonds4

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

2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 3242504) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID3242504
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccco3)cnc21
InChIInChI=1S/C16H19N5O3/c1-16(2,3)21-14-12(8-19-21)15(23)20(10-18-14)9-13(22)17-7-11-5-4-6-24-11/h4-6,8,10H,7,9H2,1-3H3,(H,17,22)
InChIKeyDVUILMVGYSNGIM-UHFFFAOYSA-N
XLogP1.26
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide (CID 3242504) is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide is CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccco3)cnc21.
What is the InChIKey of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DVUILMVGYSNGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-16(2,3)21-14-12(8-19-21)15(23)20(10-18-14)9-13(22)17-7-11-5-4-6-24-11/h4-6,8,10H,7,9H2,1-3H3,(H,17,22).
What are the key properties of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide?
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3242504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).