2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol

C13H13FN6O — CID 10016952

IUPAC2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1nc(Nc2cccc(F)c2)c2cn[nH]c2n1
InChIInChI=1S/C13H13FN6O/c14-8-2-1-3-9(6-8)17-11-10-7-16-20-12(10)19-13(18-11)15-4-5-21/h1-3,6-7,21H,4-5H2,(H3,15,16,17,18,19,20)
InChIKeyDQXBHJZPSPWVTA-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.64
Rot. Bonds5

About 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 10016952) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID10016952
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC Name2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1nc(Nc2cccc(F)c2)c2cn[nH]c2n1
InChIInChI=1S/C13H13FN6O/c14-8-2-1-3-9(6-8)17-11-10-7-16-20-12(10)19-13(18-11)15-4-5-21/h1-3,6-7,21H,4-5H2,(H3,15,16,17,18,19,20)
InChIKeyDQXBHJZPSPWVTA-UHFFFAOYSA-N
XLogP1.64
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol 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 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 10016952) is 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol is OCCNc1nc(Nc2cccc(F)c2)c2cn[nH]c2n1.
What is the InChIKey of 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is DQXBHJZPSPWVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c14-8-2-1-3-9(6-8)17-11-10-7-16-20-12(10)19-13(18-11)15-4-5-21/h1-3,6-7,21H,4-5H2,(H3,15,16,17,18,19,20).
What are the key properties of 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 288.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 10016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).