2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one

C79H82F4N12O9S3 — CID 162064266

About 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one

2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 162064266) has the molecular formula C79H82F4N12O9S3 and a molecular weight of 1515.79 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 162064266
• Molecular Formula: C79H82F4N12O9S3
• Molecular Weight: 1515.79 g/mol
• Exact Mass: 1514.54
• IUPAC Name: 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(cnn4C(=O)C(C)(C)C)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(cnn4C(=O)C(C)(C)C)c3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(cnn4C(=O)C(C)(C)C)c3)c3ccccc23)CC1
• InChI: InChI=1S/C27H27F3N4O3S.C26H27FN4O3S.C26H28N4O3S/c1-26(2,3)25(35)34-23-8-6-20(13-18(23)15-31-34)38(36,37)33-16-22(17-9-11-32(4)12-10-17)21-14-19(27(28,29)30)5-7-24(21)33;1-26(2,3)25(32)31-23-8-6-20(13-18(23)15-28-31)35(33,34)30-16-22(17-9-11-29(4)12-10-17)21-14-19(27)5-7-24(21)30;1-26(2,3)25(31)30-23-10-9-20(15-19(23)16-27-30)34(32,33)29-17-22(18-11-13-28(4)14-12-18)21-7-5-6-8-24(21)29/h5-9,13-16H,10-12H2,1-4H3;5-9,13-16H,10-12H2,1-4H3;5-11,15-17H,12-14H2,1-4H3
• InChIKey: ZAGBDPHWICWHCE-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 231.60 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.79
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one (CID 162064266) is 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(cnn4C(=O)C(C)(C)C)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(cnn4C(=O)C(C)(C)C)c3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(cnn4C(=O)C(C)(C)C)c3)c3ccccc23)CC1.

What is the InChIKey of 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one?

The InChIKey is ZAGBDPHWICWHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O3S.C26H27FN4O3S.C26H28N4O3S/c1-26(2,3)25(35)34-23-8-6-20(13-18(23)15-31-34)38(36,37)33-16-22(17-9-11-32(4)12-10-17)21-14-19(27(28,29)30)5-7-24(21)33;1-26(2,3)25(32)31-23-8-6-20(13-18(23)15-28-31)35(33,34)30-16-22(17-9-11-29(4)12-10-17)21-14-19(27)5-7-24(21)30;1-26(2,3)25(31)30-23-10-9-20(15-19(23)16-27-30)34(32,33)29-17-22(18-11-13-28(4)14-12-18)21-7-5-6-8-24(21)29/h5-9,13-16H,10-12H2,1-4H3;5-9,13-16H,10-12H2,1-4H3;5-11,15-17H,12-14H2,1-4H3.

What are the key properties of 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one?

2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 1515.79 g/mol, XLogP of 15.06, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;2,2-dimethyl-1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylindazol-1-yl]propan-1-one;1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylindazol-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 162064266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).