6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline

C₄₅H₄₂F₄N₈O₆S₃ — CID 167711890

About 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline

6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline (PubChem CID 167711890) has the molecular formula C₄₅H₄₂F₄N₈O₆S₃ and a molecular weight of 963.07 g/mol. Its IUPAC name is 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline.

Molecular Properties

• Compound Name: 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline
• PubChem CID: 167711890
• Molecular Formula: C₄₅H₄₂F₄N₈O₆S₃
• Molecular Weight: 963.07 g/mol
• Exact Mass: 962.23
• IUPAC Name: 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline
• SMILES: Cc1c(-c2cc(F)cc3c2ccn3S(C)(=O)=O)cc(F)c2c1-c1[nH]ncc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c2ccn3S(C)(=O)=O)cc(F)c2c1-c1nn(S(C)(=O)=O)cc1C(C)(C)N2
• InChI: InChI=1S/C23H22F2N4O4S2.C22H20F2N4O2S/c1-12-15(16-8-13(24)9-19-14(16)6-7-28(19)34(4,30)31)10-18(25)22-20(12)21-17(23(2,3)26-22)11-29(27-21)35(5,32)33;1-11-14(15-7-12(23)8-18-13(15)5-6-28(18)31(4,29)30)9-17(24)21-19(11)20-16(10-25-27-20)22(2,3)26-21/h6-11,26H,1-5H3;5-10,26H,1-4H3,(H,25,27)
• InChIKey: ZYRZADDQIGDMDC-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 182.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.07
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline?

The IUPAC name of 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline (CID 167711890) is 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline.

What is the SMILES notation for 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline?

The canonical SMILES for 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline is Cc1c(-c2cc(F)cc3c2ccn3S(C)(=O)=O)cc(F)c2c1-c1[nH]ncc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c2ccn3S(C)(=O)=O)cc(F)c2c1-c1nn(S(C)(=O)=O)cc1C(C)(C)N2.

What is the InChIKey of 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline?

The InChIKey is ZYRZADDQIGDMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O4S2.C22H20F2N4O2S/c1-12-15(16-8-13(24)9-19-14(16)6-7-28(19)34(4,30)31)10-18(25)22-20(12)21-17(23(2,3)26-22)11-29(27-21)35(5,32)33;1-11-14(15-7-12(23)8-18-13(15)5-6-28(18)31(4,29)30)9-17(24)21-19(11)20-16(10-25-27-20)22(2,3)26-21/h6-11,26H,1-5H3;5-10,26H,1-4H3,(H,25,27).

What are the key properties of 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline?

6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline has a molecular weight of 963.07 g/mol, XLogP of 8.79, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline;6-fluoro-8-(6-fluoro-1-methylsulfonylindol-4-yl)-4,4,9-trimethyl-2-methylsulfonyl-5H-pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 167711890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167711890 — identifiers, structure, computed properties (public domain)

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