4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile

C15H14N6O — CID 24905240

IUPAC4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile
SMILESCC(C)n1nc(-c2ccc(C#N)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C15H14N6O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-3-4-10(6-16)11(22)5-9/h3-5,7-8,22H,1-2H3,(H2,17,18,19)
InChIKeyDHYADLCEAXMYPS-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.23
Rot. Bonds2

About 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile

4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile (PubChem CID 24905240) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile
PubChem CID24905240
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile
SMILESCC(C)n1nc(-c2ccc(C#N)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C15H14N6O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-3-4-10(6-16)11(22)5-9/h3-5,7-8,22H,1-2H3,(H2,17,18,19)
InChIKeyDHYADLCEAXMYPS-UHFFFAOYSA-N
XLogP2.23
TPSA113.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile?
The IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile (CID 24905240) is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile.
What is the SMILES notation for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile?
The canonical SMILES for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile is CC(C)n1nc(-c2ccc(C#N)c(O)c2)c2c(N)ncnc21.
What is the InChIKey of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile?
The InChIKey is DHYADLCEAXMYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-3-4-10(6-16)11(22)5-9/h3-5,7-8,22H,1-2H3,(H2,17,18,19).
What are the key properties of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile?
4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile has a molecular weight of 294.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-hydroxybenzonitrile is sourced from PubChem (CID 24905240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).