2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

C14H14FN5O — CID 110432120

IUPAC2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1nn(-c2ccccc2F)c2ncnc(NCCO)c12
InChIInChI=1S/C14H14FN5O/c1-9-12-13(16-6-7-21)17-8-18-14(12)20(19-9)11-5-3-2-4-10(11)15/h2-5,8,21H,6-7H2,1H3,(H,16,17,18)
InChIKeyRQBJXDVPVZCTKJ-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.67
Rot. Bonds4

About 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 110432120) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID110432120
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1nn(-c2ccccc2F)c2ncnc(NCCO)c12
InChIInChI=1S/C14H14FN5O/c1-9-12-13(16-6-7-21)17-8-18-14(12)20(19-9)11-5-3-2-4-10(11)15/h2-5,8,21H,6-7H2,1H3,(H,16,17,18)
InChIKeyRQBJXDVPVZCTKJ-UHFFFAOYSA-N
XLogP1.67
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093
N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110435041
1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
CID 110435881
1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432005
4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine
CID 110433764
N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 110432057
N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 110432089
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine
CID 55855511
methyl 5-chloro-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 25247734
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 29090615

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (CID 110432120) is 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is Cc1nn(-c2ccccc2F)c2ncnc(NCCO)c12.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is RQBJXDVPVZCTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-9-12-13(16-6-7-21)17-8-18-14(12)20(19-9)11-5-3-2-4-10(11)15/h2-5,8,21H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 287.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 110432120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).