1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone

C22H20FN5O — CID 16733986

IUPAC1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1
InChIInChI=1S/C22H20FN5O/c1-15(29)26-8-10-27(11-9-26)21-12-16-13-25-28(18-4-2-17(23)3-5-18)22(16)19-6-7-24-14-20(19)21/h2-7,12-14H,8-11H2,1H3
InChIKeyOGTMTINITFGFLT-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.38
Rot. Bonds2

About 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone

1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone (PubChem CID 16733986) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone
PubChem CID16733986
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1
InChIInChI=1S/C22H20FN5O/c1-15(29)26-8-10-27(11-9-26)21-12-16-13-25-28(18-4-2-17(23)3-5-18)22(16)19-6-7-24-14-20(19)21/h2-7,12-14H,8-11H2,1H3
InChIKeyOGTMTINITFGFLT-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone (CID 16733986) is 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1.
What is the InChIKey of 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is OGTMTINITFGFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-15(29)26-8-10-27(11-9-26)21-12-16-13-25-28(18-4-2-17(23)3-5-18)22(16)19-6-7-24-14-20(19)21/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone?
1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 389.43 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 16733986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).