1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

C129H108BrF8N15O19S5 — CID 158722251

About 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (PubChem CID 158722251) has the molecular formula C129H108BrF8N15O19S5 and a molecular weight of 2564.59 g/mol. Its IUPAC name is 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.

Molecular Properties

• Compound Name: 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
• PubChem CID: 158722251
• Molecular Formula: C129H108BrF8N15O19S5
• Molecular Weight: 2564.59 g/mol
• Exact Mass: 2561.56
• IUPAC Name: 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
• SMILES: COc1ccc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Cc4ccccn4)c4c(F)cc(F)cc43)c2)cn1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3cc(F)cc(F)c23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3ccccc23)no1.Cc1noc(C)c1-c1cccc(Cn2cc(S(=O)(=O)CC(=O)Cc3ccccn3)c3c(F)cc(F)cc32)c1.O=C(CC1CCC1)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12
• InChI: InChI=1S/C29H23F2N3O4S.C28H23F2N3O4S.C25H20F2N4O4S.C25H22N4O4S.C22H20BrF2NO3S/c1-38-28-9-8-21(15-33-28)20-6-4-5-19(11-20)16-34-17-27(29-25(31)12-22(30)13-26(29)34)39(36,37)18-24(35)14-23-7-2-3-10-32-23;1-17-27(18(2)37-32-17)20-7-5-6-19(10-20)14-33-15-26(28-24(30)11-21(29)12-25(28)33)38(35,36)16-23(34)13-22-8-3-4-9-31-22;1-15-5-20(30-35-15)9-21(32)14-36(33,34)24-13-31(23-8-19(26)7-22(27)25(23)24)12-16-3-2-4-17(6-16)18-10-28-29-11-18;1-17-9-21(28-33-17)11-22(30)16-34(31,32)25-15-29(24-8-3-2-7-23(24)25)14-18-5-4-6-19(10-18)20-12-26-27-13-20;23-16-6-2-5-15(7-16)11-26-12-21(22-19(25)9-17(24)10-20(22)26)30(28,29)13-18(27)8-14-3-1-4-14/h2-13,15,17H,14,16,18H2,1H3;3-12,15H,13-14,16H2,1-2H3;2-8,10-11,13H,9,12,14H2,1H3,(H,28,29);2-10,12-13,15H,11,14,16H2,1H3,(H,26,27);2,5-7,9-10,12,14H,1,3-4,8,11,13H2
• InChIKey: IKBFVUVRSLWKJD-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 464.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 40
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2564.59
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

The IUPAC name of 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (CID 158722251) is 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.

What is the SMILES notation for 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

The canonical SMILES for 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is COc1ccc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Cc4ccccn4)c4c(F)cc(F)cc43)c2)cn1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3cc(F)cc(F)c23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3ccccc23)no1.Cc1noc(C)c1-c1cccc(Cn2cc(S(=O)(=O)CC(=O)Cc3ccccn3)c3c(F)cc(F)cc32)c1.O=C(CC1CCC1)CS(=O)(=O)c1cn(Cc2cccc(Br)c2)c2cc(F)cc(F)c12.

What is the InChIKey of 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

The InChIKey is IKBFVUVRSLWKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N3O4S.C28H23F2N3O4S.C25H20F2N4O4S.C25H22N4O4S.C22H20BrF2NO3S/c1-38-28-9-8-21(15-33-28)20-6-4-5-19(11-20)16-34-17-27(29-25(31)12-22(30)13-26(29)34)39(36,37)18-24(35)14-23-7-2-3-10-32-23;1-17-27(18(2)37-32-17)20-7-5-6-19(10-20)14-33-15-26(28-24(30)11-21(29)12-25(28)33)38(35,36)16-23(34)13-22-8-3-4-9-31-22;1-15-5-20(30-35-15)9-21(32)14-36(33,34)24-13-31(23-8-19(26)7-22(27)25(23)24)12-16-3-2-4-17(6-16)18-10-28-29-11-18;1-17-9-21(28-33-17)11-22(30)16-34(31,32)25-15-29(24-8-3-2-7-23(24)25)14-18-5-4-6-19(10-18)20-12-26-27-13-20;23-16-6-2-5-15(7-16)11-26-12-21(22-19(25)9-17(24)10-20(22)26)30(28,29)13-18(27)8-14-3-1-4-14/h2-13,15,17H,14,16,18H2,1H3;3-12,15H,13-14,16H2,1-2H3;2-8,10-11,13H,9,12,14H2,1H3,(H,28,29);2-10,12-13,15H,11,14,16H2,1H3,(H,26,27);2,5-7,9-10,12,14H,1,3-4,8,11,13H2.

What are the key properties of 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?

1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one has a molecular weight of 2564.59 g/mol, XLogP of 23.70, 40 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3-bromophenyl)methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-cyclobutylpropan-2-one;1-[4,6-difluoro-1-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is sourced from PubChem (CID 158722251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).