3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C17H13N5O — CID 24905262

IUPAC3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3cccc(Oc4ccccc4)c3)c12
InChIInChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-5-4-8-13(9-11)23-12-6-2-1-3-7-12/h1-10H,(H3,18,19,20,21,22)
InChIKeyUHEYNNXOPKMSPN-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.39
Rot. Bonds3

About 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905262) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905262
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3cccc(Oc4ccccc4)c3)c12
InChIInChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-5-4-8-13(9-11)23-12-6-2-1-3-7-12/h1-10H,(H3,18,19,20,21,22)
InChIKeyUHEYNNXOPKMSPN-UHFFFAOYSA-N
XLogP3.39
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905262) is 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(-c3cccc(Oc4ccccc4)c3)c12.
What is the InChIKey of 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UHEYNNXOPKMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-5-4-8-13(9-11)23-12-6-2-1-3-7-12/h1-10H,(H3,18,19,20,21,22).
What are the key properties of 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).