4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline

C21H13FN4 — CID 69094244

IUPAC4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline
SMILESFc1ccc(-n2ncc3c(-c4cncc5ccccc45)ccnc32)cc1
InChIInChI=1S/C21H13FN4/c22-15-5-7-16(8-6-15)26-21-20(13-25-26)18(9-10-24-21)19-12-23-11-14-3-1-2-4-17(14)19/h1-13H
InChIKeyJUUVZGQMKDDVGB-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.77
Rot. Bonds2

About 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline

4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline (PubChem CID 69094244) has the molecular formula C21H13FN4 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline
PubChem CID69094244
Molecular FormulaC21H13FN4
Molecular Weight340.36 g/mol
Exact Mass340.11
IUPAC Name4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline
SMILESFc1ccc(-n2ncc3c(-c4cncc5ccccc45)ccnc32)cc1
InChIInChI=1S/C21H13FN4/c22-15-5-7-16(8-6-15)26-21-20(13-25-26)18(9-10-24-21)19-12-23-11-14-3-1-2-4-17(14)19/h1-13H
InChIKeyJUUVZGQMKDDVGB-UHFFFAOYSA-N
XLogP4.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline (CID 69094244) is 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline is Fc1ccc(-n2ncc3c(-c4cncc5ccccc45)ccnc32)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline?
The InChIKey is JUUVZGQMKDDVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4/c22-15-5-7-16(8-6-15)26-21-20(13-25-26)18(9-10-24-21)19-12-23-11-14-3-1-2-4-17(14)19/h1-13H.
What are the key properties of 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline?
4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline has a molecular weight of 340.36 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline is sourced from PubChem (CID 69094244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).