1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline

C21H20FN5 — CID 16733987

IUPAC1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline
SMILESCN1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1
InChIInChI=1S/C21H20FN5/c1-25-8-10-26(11-9-25)20-12-15-13-24-27(17-4-2-16(22)3-5-17)21(15)18-6-7-23-14-19(18)20/h2-7,12-14H,8-11H2,1H3
InChIKeyLBTYSQJQYXYHSY-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline

1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline (PubChem CID 16733987) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline
PubChem CID16733987
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline
SMILESCN1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1
InChIInChI=1S/C21H20FN5/c1-25-8-10-26(11-9-25)20-12-15-13-24-27(17-4-2-16(22)3-5-17)21(15)18-6-7-23-14-19(18)20/h2-7,12-14H,8-11H2,1H3
InChIKeyLBTYSQJQYXYHSY-UHFFFAOYSA-N
XLogP3.46
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline (CID 16733987) is 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline is CN1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline?
The InChIKey is LBTYSQJQYXYHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c1-25-8-10-26(11-9-25)20-12-15-13-24-27(17-4-2-16(22)3-5-17)21(15)18-6-7-23-14-19(18)20/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline?
1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline has a molecular weight of 361.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16733987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).