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

C21H13FN4 — CID 16734032

IUPAC1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4cccnc4)c4cnccc4c32)cc1
InChIInChI=1S/C21H13FN4/c22-16-3-5-17(6-4-16)26-21-15(12-25-26)10-19(14-2-1-8-23-11-14)20-13-24-9-7-18(20)21/h1-13H
InChIKeyFJDTVKBADLEXTK-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.77
Rot. Bonds2

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

1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline (PubChem CID 16734032) has the molecular formula C21H13FN4 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
PubChem CID16734032
Molecular FormulaC21H13FN4
Molecular Weight340.36 g/mol
Exact Mass340.11
IUPAC Name1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4cccnc4)c4cnccc4c32)cc1
InChIInChI=1S/C21H13FN4/c22-16-3-5-17(6-4-16)26-21-15(12-25-26)10-19(14-2-1-8-23-11-14)20-13-24-9-7-18(20)21/h1-13H
InChIKeyFJDTVKBADLEXTK-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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Related Compounds

Nerispirdine
CID 3081185
6-[1-(2-Fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
CID 11301185
8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline
CID 10404815
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline (CID 16734032) is 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline is Fc1ccc(-n2ncc3cc(-c4cccnc4)c4cnccc4c32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The InChIKey is FJDTVKBADLEXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4/c22-16-3-5-17(6-4-16)26-21-15(12-25-26)10-19(14-2-1-8-23-11-14)20-13-24-9-7-18(20)21/h1-13H.
What are the key properties of 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]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 1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16734032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).