3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C20H16FN5O — CID 118025552

IUPAC3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2C1CCc2ccccc21
InChIInChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24)
InChIKeyCKJXBFPVDBUQHA-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.46
Rot. Bonds2

About 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 118025552) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID118025552
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2C1CCc2ccccc21
InChIInChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24)
InChIKeyCKJXBFPVDBUQHA-UHFFFAOYSA-N
XLogP3.46
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol 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-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 118025552) is 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2C1CCc2ccccc21.
What is the InChIKey of 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is CKJXBFPVDBUQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24).
What are the key properties of 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 361.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 118025552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).