8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C20H15FN4O2S2 — CID 24865990

IUPAC8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H15FN4O2S2/c1-12-15-11-23-24-20(15)14-10-13(21)5-6-17(14)25(12)29(26,27)19-8-7-18(28-19)16-4-2-3-9-22-16/h2-12H,1H3,(H,23,24)
InChIKeyXUXPHNZVYLGROD-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.61
Rot. Bonds3

About 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865990) has the molecular formula C20H15FN4O2S2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865990
Molecular FormulaC20H15FN4O2S2
Molecular Weight426.50 g/mol
Exact Mass426.06
IUPAC Name8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H15FN4O2S2/c1-12-15-11-23-24-20(15)14-10-13(21)5-6-17(14)25(12)29(26,27)19-8-7-18(28-19)16-4-2-3-9-22-16/h2-12H,1H3,(H,23,24)
InChIKeyXUXPHNZVYLGROD-UHFFFAOYSA-N
XLogP4.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865990) is 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is CC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is XUXPHNZVYLGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S2/c1-12-15-11-23-24-20(15)14-10-13(21)5-6-17(14)25(12)29(26,27)19-8-7-18(28-19)16-4-2-3-9-22-16/h2-12H,1H3,(H,23,24).
What are the key properties of 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 426.50 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).