9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline

C24H17FN2O — CID 101477577

IUPAC9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3c4cc(F)ccc4cc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C24H17FN2O/c1-28-20-11-8-16(9-12-20)22-15-24-21-14-19(25)10-7-18(21)13-23(27(24)26-22)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyRABZGFQPEXTASP-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.97
Rot. Bonds3

About 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline

9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 101477577) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID101477577
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3c4cc(F)ccc4cc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C24H17FN2O/c1-28-20-11-8-16(9-12-20)22-15-24-21-14-19(25)10-7-18(21)13-23(27(24)26-22)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyRABZGFQPEXTASP-UHFFFAOYSA-N
XLogP5.97
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9977389
6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-p-tolyl-6H-pyrrolo[3,4-d]pyridazine
CID 10022126
1,6-Bis-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10046621
6-(4-Ethoxy-phenyl)-1-(4-fluoro-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10068070
1-Cyclohexyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10428807
6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-phenyl-6H-pyrrolo[3,4-d]pyridazine
CID 10450984
6-(4-Ethoxy-phenyl)-1-(4-methoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10452807
2-(4-Methoxy-2-methylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 16126888
2-ethyl-7-(4-methoxy-2-methylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
CID 21984746
2-(4-Ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 24758073
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223243

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline (CID 101477577) is 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline is COc1ccc(-c2cc3c4cc(F)ccc4cc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is RABZGFQPEXTASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c1-28-20-11-8-16(9-12-20)22-15-24-21-14-19(25)10-7-18(21)13-23(27(24)26-22)17-5-3-2-4-6-17/h2-15H,1H3.
What are the key properties of 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 368.41 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-(4-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 101477577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).