8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline

C22H17FN4O2S — CID 2809938

IUPAC8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline
SMILESCc1ccc(C)n1-c1nn(S(=O)(=O)c2cccc3cccnc23)c2cccc(F)c12
InChIInChI=1S/C22H17FN4O2S/c1-14-11-12-15(2)26(14)22-20-17(23)8-4-9-18(20)27(25-22)30(28,29)19-10-3-6-16-7-5-13-24-21(16)19/h3-13H,1-2H3
InChIKeyWGJKWEIOYXFSSO-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.37
Rot. Bonds3

About 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline

8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline (PubChem CID 2809938) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline
PubChem CID2809938
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline
SMILESCc1ccc(C)n1-c1nn(S(=O)(=O)c2cccc3cccnc23)c2cccc(F)c12
InChIInChI=1S/C22H17FN4O2S/c1-14-11-12-15(2)26(14)22-20-17(23)8-4-9-18(20)27(25-22)30(28,29)19-10-3-6-16-7-5-13-24-21(16)19/h3-13H,1-2H3
InChIKeyWGJKWEIOYXFSSO-UHFFFAOYSA-N
XLogP4.37
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline?
The IUPAC name of 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline (CID 2809938) is 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline is Cc1ccc(C)n1-c1nn(S(=O)(=O)c2cccc3cccnc23)c2cccc(F)c12.
What is the InChIKey of 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline?
The InChIKey is WGJKWEIOYXFSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-14-11-12-15(2)26(14)22-20-17(23)8-4-9-18(20)27(25-22)30(28,29)19-10-3-6-16-7-5-13-24-21(16)19/h3-13H,1-2H3.
What are the key properties of 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline?
8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline has a molecular weight of 420.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazol-1-yl]sulfonylquinoline is sourced from PubChem (CID 2809938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).