N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide

C12H11N5O2 — CID 134822194

IUPACN-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2nc(-c3ccco3)nc(C)c12
InChIInChI=1S/C12H11N5O2/c1-6-9-11(14-7(2)18)16-17-12(9)15-10(13-6)8-4-3-5-19-8/h3-5H,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyCPZDMEKBLBOKKZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.88
Rot. Bonds2

About N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide

N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide (PubChem CID 134822194) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide
PubChem CID134822194
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC NameN-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2nc(-c3ccco3)nc(C)c12
InChIInChI=1S/C12H11N5O2/c1-6-9-11(14-7(2)18)16-17-12(9)15-10(13-6)8-4-3-5-19-8/h3-5H,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyCPZDMEKBLBOKKZ-UHFFFAOYSA-N
XLogP1.88
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide (CID 134822194) is N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide is CC(=O)Nc1n[nH]c2nc(-c3ccco3)nc(C)c12.
What is the InChIKey of N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide?
The InChIKey is CPZDMEKBLBOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-6-9-11(14-7(2)18)16-17-12(9)15-10(13-6)8-4-3-5-19-8/h3-5H,1-2H3,(H2,13,14,15,16,17,18).
What are the key properties of N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide?
N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide has a molecular weight of 257.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 134822194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).