4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine

C15H12N6O — CID 23546899

IUPAC4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(Cc3cccnc3)c2n1
InChIInChI=1S/C15H12N6O/c16-15-19-13(12-4-2-6-22-12)11-8-18-21(14(11)20-15)9-10-3-1-5-17-7-10/h1-8H,9H2,(H2,16,19,20)
InChIKeyHJARLDOLFAIFOG-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.11
Rot. Bonds3

About 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine

4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 23546899) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID23546899
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(Cc3cccnc3)c2n1
InChIInChI=1S/C15H12N6O/c16-15-19-13(12-4-2-6-22-12)11-8-18-21(14(11)20-15)9-10-3-1-5-17-7-10/h1-8H,9H2,(H2,16,19,20)
InChIKeyHJARLDOLFAIFOG-UHFFFAOYSA-N
XLogP2.11
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-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 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 23546899) is 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccco2)c2cnn(Cc3cccnc3)c2n1.
What is the InChIKey of 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is HJARLDOLFAIFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-15-19-13(12-4-2-6-22-12)11-8-18-21(14(11)20-15)9-10-3-1-5-17-7-10/h1-8H,9H2,(H2,16,19,20).
What are the key properties of 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 292.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 23546899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).