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

IUPAC6-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
SMILESCc1c(-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
InChIInChI=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)
InChIKeyZYRZADDQIGDMDC-UHFFFAOYSA-N
MW963.07 g/mol
LogP8.79
Rot. Bonds5

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 Name6-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 CID167711890
Molecular FormulaC45H42F4N8O6S3
Molecular Weight963.07 g/mol
Exact Mass962.23
IUPAC Name6-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
SMILESCc1c(-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
InChIInChI=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)
InChIKeyZYRZADDQIGDMDC-UHFFFAOYSA-N
XLogP8.79
TPSA182.84 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.07
LogP ≤ 58.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

N-[3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]phenyl]propane-1-sulfonamide
CID 86766656
N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137033930
N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137038171
N-[[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)cyclohexa-1,5-dien-3-yn-1-yl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137087577
N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137087965
N-[[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137088072
N-[[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137088122
N-[[3-fluoro-5-[2-(5-phenyl-1H-indazol-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137088182
N-[[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137088183
N-[[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137088184
N-[[3-[2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137088346
N-[[3-fluoro-5-[2-[5-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
CID 137088427

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).