3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine

C18H17N5O — CID 24905196

IUPAC3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3occc3c1)nn2C1CCCC1
InChIInChI=1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13H,1-4H2,(H2,19,20,21)
InChIKeyIVPZQVJSLCFTTO-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.94
Rot. Bonds2

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

3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905196) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905196
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3occc3c1)nn2C1CCCC1
InChIInChI=1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13H,1-4H2,(H2,19,20,21)
InChIKeyIVPZQVJSLCFTTO-UHFFFAOYSA-N
XLogP3.94
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905196) is 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3occc3c1)nn2C1CCCC1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IVPZQVJSLCFTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13H,1-4H2,(H2,19,20,21).
What are the key properties of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.94, 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-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).