N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C23H24FN7 — CID 167931834

IUPACN-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCN1CCN(c2cccc(Nc3ncnc4c3cnn4-c3ccccc3F)c2)CC1
InChIInChI=1S/C23H24FN7/c1-2-29-10-12-30(13-11-29)18-7-5-6-17(14-18)28-22-19-15-27-31(23(19)26-16-25-22)21-9-4-3-8-20(21)24/h3-9,14-16H,2,10-13H2,1H3,(H,25,26,28)
InChIKeyJVVJEGHXWFLPDK-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.84
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 167931834) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID167931834
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCN1CCN(c2cccc(Nc3ncnc4c3cnn4-c3ccccc3F)c2)CC1
InChIInChI=1S/C23H24FN7/c1-2-29-10-12-30(13-11-29)18-7-5-6-17(14-18)28-22-19-15-27-31(23(19)26-16-25-22)21-9-4-3-8-20(21)24/h3-9,14-16H,2,10-13H2,1H3,(H,25,26,28)
InChIKeyJVVJEGHXWFLPDK-UHFFFAOYSA-N
XLogP3.84
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Riociguat
CID 11304743
Adipiplon
CID 11198924
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Cgp 57380
CID 11644425
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
Nelociguat
CID 11690019
Unc569
CID 53355503
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 167931834) is N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCN1CCN(c2cccc(Nc3ncnc4c3cnn4-c3ccccc3F)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JVVJEGHXWFLPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-2-29-10-12-30(13-11-29)18-7-5-6-17(14-18)28-22-19-15-27-31(23(19)26-16-25-22)21-9-4-3-8-20(21)24/h3-9,14-16H,2,10-13H2,1H3,(H,25,26,28).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 417.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167931834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).