N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide

C15H15FN6O — CID 110432089

IUPACN-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2c1cnn2-c1ccccc1F
InChIInChI=1S/C15H15FN6O/c1-10(23)17-6-7-18-14-11-8-21-22(15(11)20-9-19-14)13-5-3-2-4-12(13)16/h2-5,8-9H,6-7H2,1H3,(H,17,23)(H,18,19,20)
InChIKeyNPOPKIMNAVMQPF-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.50
Rot. Bonds5

About N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 110432089) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID110432089
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC NameN-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2c1cnn2-c1ccccc1F
InChIInChI=1S/C15H15FN6O/c1-10(23)17-6-7-18-14-11-8-21-22(15(11)20-9-19-14)13-5-3-2-4-12(13)16/h2-5,8-9H,6-7H2,1H3,(H,17,23)(H,18,19,20)
InChIKeyNPOPKIMNAVMQPF-UHFFFAOYSA-N
XLogP1.50
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 110432057
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432056
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 110435024
N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 39864101
1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726304
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 30877188
1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51699865
2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 110432120

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 110432089) is N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1ncnc2c1cnn2-c1ccccc1F.
What is the InChIKey of N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is NPOPKIMNAVMQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-10(23)17-6-7-18-14-11-8-21-22(15(11)20-9-19-14)13-5-3-2-4-12(13)16/h2-5,8-9H,6-7H2,1H3,(H,17,23)(H,18,19,20).
What are the key properties of N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 110432089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).