3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C16H15N5O — CID 24905195

IUPAC3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3occc3c2)c2c(N)ncnc21
InChIInChI=1S/C16H15N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-3-4-12-10(7-11)5-6-22-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyAULCRCVNIWNUTH-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.40
Rot. Bonds2

About 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905195) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905195
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3occc3c2)c2c(N)ncnc21
InChIInChI=1S/C16H15N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-3-4-12-10(7-11)5-6-22-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyAULCRCVNIWNUTH-UHFFFAOYSA-N
XLogP3.40
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905195) is 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3occc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AULCRCVNIWNUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-3-4-12-10(7-11)5-6-22-12/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 293.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).