6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one

C15H11N5O2 — CID 24905234

IUPAC6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
SMILESCn1nc(-c2ccc3occc(=O)c3c2)c2c(N)ncnc21
InChIInChI=1S/C15H11N5O2/c1-20-15-12(14(16)17-7-18-15)13(19-20)8-2-3-11-9(6-8)10(21)4-5-22-11/h2-7H,1H3,(H2,16,17,18)
InChIKeyIXPOSFVTGQUOAI-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.72
Rot. Bonds1

About 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one

6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one (PubChem CID 24905234) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one.

Molecular Properties

Compound Name6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
PubChem CID24905234
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
SMILESCn1nc(-c2ccc3occc(=O)c3c2)c2c(N)ncnc21
InChIInChI=1S/C15H11N5O2/c1-20-15-12(14(16)17-7-18-15)13(19-20)8-2-3-11-9(6-8)10(21)4-5-22-11/h2-7H,1H3,(H2,16,17,18)
InChIKeyIXPOSFVTGQUOAI-UHFFFAOYSA-N
XLogP1.72
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
The IUPAC name of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one (CID 24905234) is 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one.
What is the SMILES notation for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
The canonical SMILES for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one is Cn1nc(-c2ccc3occc(=O)c3c2)c2c(N)ncnc21.
What is the InChIKey of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
The InChIKey is IXPOSFVTGQUOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c1-20-15-12(14(16)17-7-18-15)13(19-20)8-2-3-11-9(6-8)10(21)4-5-22-11/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one has a molecular weight of 293.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one is sourced from PubChem (CID 24905234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).