4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one

C17H13N5O — CID 15698870

IUPAC4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESNc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-15-14-11-19-22(13-9-5-2-6-10-13)16(14)20-17(23)21(15)12-7-3-1-4-8-12/h1-11H,18H2
InChIKeyQKIOZSHCDBWZQI-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.15
Rot. Bonds2

About 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one

4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698870) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698870
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESNc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-15-14-11-19-22(13-9-5-2-6-10-13)16(14)20-17(23)21(15)12-7-3-1-4-8-12/h1-11H,18H2
InChIKeyQKIOZSHCDBWZQI-UHFFFAOYSA-N
XLogP2.15
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698870) is 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one is Nc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1.
What is the InChIKey of 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is QKIOZSHCDBWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-15-14-11-19-22(13-9-5-2-6-10-13)16(14)20-17(23)21(15)12-7-3-1-4-8-12/h1-11H,18H2.
What are the key properties of 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 303.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).