1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H19FN6O — CID 110432056

IUPAC1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccccc1-n1ncc2c(NCCN3CCOCC3)ncnc21
InChIInChI=1S/C17H19FN6O/c18-14-3-1-2-4-15(14)24-17-13(11-22-24)16(20-12-21-17)19-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,19,20,21)
InChIKeyDHKNSGLDCGFGEA-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.70
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110432056) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110432056
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccccc1-n1ncc2c(NCCN3CCOCC3)ncnc21
InChIInChI=1S/C17H19FN6O/c18-14-3-1-2-4-15(14)24-17-13(11-22-24)16(20-12-21-17)19-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,19,20,21)
InChIKeyDHKNSGLDCGFGEA-UHFFFAOYSA-N
XLogP1.70
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 110432089
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4909378
3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 110435024
1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 110433726
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167931834
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017143
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110432056) is 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Fc1ccccc1-n1ncc2c(NCCN3CCOCC3)ncnc21.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DHKNSGLDCGFGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-14-3-1-2-4-15(14)24-17-13(11-22-24)16(20-12-21-17)19-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,19,20,21).
What are the key properties of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 342.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110432056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).