1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline

C20H18FN5 — CID 16733960

IUPAC1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(N4CCNCC4)c4cnccc4c32)cc1
InChIInChI=1S/C20H18FN5/c21-15-1-3-16(4-2-15)26-20-14(12-24-26)11-19(25-9-7-22-8-10-25)18-13-23-6-5-17(18)20/h1-6,11-13,22H,7-10H2
InChIKeyPUAIFJNHFQLMNO-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.12
Rot. Bonds2

About 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline

1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline (PubChem CID 16733960) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline
PubChem CID16733960
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(N4CCNCC4)c4cnccc4c32)cc1
InChIInChI=1S/C20H18FN5/c21-15-1-3-16(4-2-15)26-20-14(12-24-26)11-19(25-9-7-22-8-10-25)18-13-23-6-5-17(18)20/h1-6,11-13,22H,7-10H2
InChIKeyPUAIFJNHFQLMNO-UHFFFAOYSA-N
XLogP3.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline (CID 16733960) is 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline is Fc1ccc(-n2ncc3cc(N4CCNCC4)c4cnccc4c32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline?
The InChIKey is PUAIFJNHFQLMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-15-1-3-16(4-2-15)26-20-14(12-24-26)11-19(25-9-7-22-8-10-25)18-13-23-6-5-17(18)20/h1-6,11-13,22H,7-10H2.
What are the key properties of 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline?
1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline has a molecular weight of 347.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-piperazin-1-ylpyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16733960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).