8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C16H13FN4O2S — CID 24864524

IUPAC8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H13FN4O2S/c1-10-14-9-19-20-16(14)13-7-11(17)4-5-15(13)21(10)24(22,23)12-3-2-6-18-8-12/h2-10H,1H3,(H,19,20)
InChIKeyFNDBCIBPVBWTNP-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.88
Rot. Bonds2

About 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24864524) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24864524
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H13FN4O2S/c1-10-14-9-19-20-16(14)13-7-11(17)4-5-15(13)21(10)24(22,23)12-3-2-6-18-8-12/h2-10H,1H3,(H,19,20)
InChIKeyFNDBCIBPVBWTNP-UHFFFAOYSA-N
XLogP2.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Elnd-007
CID 46912223
Elnd-006
CID 53308121
4-Cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 45485450
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
(4R)-4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746584
5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
CID 25127876
(4R)-4-Cyclopropyl-8-fluoro-4,5-dihydro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1H-pyrazolo[4,3-c]quinoline
CID 45101437
(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890880
(4S,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890881
(4S,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890882
(4R,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890883

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24864524) is 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is CC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cccnc1.
What is the InChIKey of 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is FNDBCIBPVBWTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-10-14-9-19-20-16(14)13-7-11(17)4-5-15(13)21(10)24(22,23)12-3-2-6-18-8-12/h2-10H,1H3,(H,19,20).
What are the key properties of 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 344.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24864524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).