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

C28H19FN4OS — CID 16733959

IUPAC1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
SMILESCS(=O)c1ccc(-c2nn(-c3ccc(F)cc3)c3c2cc(-c2cccnc2)c2cnccc23)cc1
InChIInChI=1S/C28H19FN4OS/c1-35(34)22-10-4-18(5-11-22)27-25-15-24(19-3-2-13-30-16-19)26-17-31-14-12-23(26)28(25)33(32-27)21-8-6-20(29)7-9-21/h2-17H,1H3
InChIKeyHXMPAJQAMPIZPR-UHFFFAOYSA-N
MW478.55 g/mol
LogP6.18
Rot. Bonds4

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

1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline (PubChem CID 16733959) has the molecular formula C28H19FN4OS and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
PubChem CID16733959
Molecular FormulaC28H19FN4OS
Molecular Weight478.55 g/mol
Exact Mass478.13
IUPAC Name1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
SMILESCS(=O)c1ccc(-c2nn(-c3ccc(F)cc3)c3c2cc(-c2cccnc2)c2cnccc23)cc1
InChIInChI=1S/C28H19FN4OS/c1-35(34)22-10-4-18(5-11-22)27-25-15-24(19-3-2-13-30-16-19)26-17-31-14-12-23(26)28(25)33(32-27)21-8-6-20(29)7-9-21/h2-17H,1H3
InChIKeyHXMPAJQAMPIZPR-UHFFFAOYSA-N
XLogP6.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164625072
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-6-methyl-5-(4-methylsulfonylphenyl)indazole
CID 68021862
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-1-methyl-3-quinolin-3-ylindazol-5-amine
CID 145971892
N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164611784
N-[2-(3-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164626479
N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine
CID 86766654
3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine
CID 71717133
1-(3,4-dimethylphenyl)-7-fluoro-3-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 20852528
US20250115583, Example 78
CID 168961166
US20250115583, Example 90
CID 168961280
21-Fluoro-15,16-diazahexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(25),2(11),3,5,7,9,12,14,17,19(24),20,22-dodecaene
CID 138964462
8-ethyl-1-(3-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 20852510

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline (CID 16733959) is 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline is CS(=O)c1ccc(-c2nn(-c3ccc(F)cc3)c3c2cc(-c2cccnc2)c2cnccc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The InChIKey is HXMPAJQAMPIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4OS/c1-35(34)22-10-4-18(5-11-22)27-25-15-24(19-3-2-13-30-16-19)26-17-31-14-12-23(26)28(25)33(32-27)21-8-6-20(29)7-9-21/h2-17H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline has a molecular weight of 478.55 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16733959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).