1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H12FN5O — CID 12018223

IUPAC1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccco1)nn2Cc1ccccc1F
InChIInChI=1S/C16H12FN5O/c17-11-5-2-1-4-10(11)8-22-16-13(15(18)19-9-20-16)14(21-22)12-6-3-7-23-12/h1-7,9H,8H2,(H2,18,19,20)
InChIKeyKMSSQBUEYJOECZ-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.86
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 12018223) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID12018223
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccco1)nn2Cc1ccccc1F
InChIInChI=1S/C16H12FN5O/c17-11-5-2-1-4-10(11)8-22-16-13(15(18)19-9-20-16)14(21-22)12-6-3-7-23-12/h1-7,9H,8H2,(H2,18,19,20)
InChIKeyKMSSQBUEYJOECZ-UHFFFAOYSA-N
XLogP2.86
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[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 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 12018223) is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccco1)nn2Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KMSSQBUEYJOECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-11-5-2-1-4-10(11)8-22-16-13(15(18)19-9-20-16)14(21-22)12-6-3-7-23-12/h1-7,9H,8H2,(H2,18,19,20).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 309.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 12018223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).