1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one

C139H106F11N15O17S5 — CID 160722908

About 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one

1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one (PubChem CID 160722908) has the molecular formula C139H106F11N15O17S5 and a molecular weight of 2627.78 g/mol. Its IUPAC name is 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one.

Molecular Properties

• Compound Name: 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one
• PubChem CID: 160722908
• Molecular Formula: C139H106F11N15O17S5
• Molecular Weight: 2627.78 g/mol
• Exact Mass: 2625.63
• IUPAC Name: 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one
• SMILES: Cc1cc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Cc4ccccn4)c4c(F)cc(F)cc43)c2)ccn1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cccnc4)c3)c3cc(F)cc(F)c23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccncc4)c3)c3cc(F)cc(F)c23)no1.O=C(Cc1ccccn1)CS(=O)(=O)c1cn(Cc2cccc(-c3cccnc3)c2)c2cc(F)cc(F)c12.O=C(Cc1ccccn1)CS(=O)(=O)c1cn(Cc2cccc(-c3cccnc3F)c2)c2cc(F)cc(F)c12
• InChI: InChI=1S/C29H23F2N3O3S.C28H20F3N3O3S.C28H21F2N3O3S.2C27H21F2N3O4S/c1-19-11-22(8-10-32-19)21-6-4-5-20(12-21)16-34-17-28(29-26(31)13-23(30)14-27(29)34)38(36,37)18-25(35)15-24-7-2-3-9-33-24;29-20-12-24(30)27-25(13-20)34(15-18-5-3-6-19(11-18)23-8-4-10-33-28(23)31)16-26(27)38(36,37)17-22(35)14-21-7-1-2-9-32-21;29-22-12-25(30)28-26(13-22)33(16-19-5-3-6-20(11-19)21-7-4-9-31-15-21)17-27(28)37(35,36)18-24(34)14-23-8-1-2-10-32-23;1-17-8-22(31-36-17)12-23(33)16-37(34,35)26-15-32(25-11-21(28)10-24(29)27(25)26)14-18-4-2-5-19(9-18)20-6-3-7-30-13-20;1-17-9-22(31-36-17)13-23(33)16-37(34,35)26-15-32(25-12-21(28)11-24(29)27(25)26)14-18-3-2-4-20(10-18)19-5-7-30-8-6-19/h2-14,17H,15-16,18H2,1H3;1-13,16H,14-15,17H2;1-13,15,17H,14,16,18H2;2-11,13,15H,12,14,16H2,1H3;2-12,15H,13-14,16H2,1H3
• InChIKey: RTIHZRSUQMSQJG-UHFFFAOYSA-N
• XLogP: 25.30
• TPSA: 435.88 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 40
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2627.78
LogP ≤ 5	25.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one?

The IUPAC name of 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one (CID 160722908) is 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one.

What is the SMILES notation for 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one?

The canonical SMILES for 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one is Cc1cc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Cc4ccccn4)c4c(F)cc(F)cc43)c2)ccn1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cccnc4)c3)c3cc(F)cc(F)c23)no1.Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccncc4)c3)c3cc(F)cc(F)c23)no1.O=C(Cc1ccccn1)CS(=O)(=O)c1cn(Cc2cccc(-c3cccnc3)c2)c2cc(F)cc(F)c12.O=C(Cc1ccccn1)CS(=O)(=O)c1cn(Cc2cccc(-c3cccnc3F)c2)c2cc(F)cc(F)c12.

What is the InChIKey of 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one?

The InChIKey is RTIHZRSUQMSQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N3O3S.C28H20F3N3O3S.C28H21F2N3O3S.2C27H21F2N3O4S/c1-19-11-22(8-10-32-19)21-6-4-5-20(12-21)16-34-17-28(29-26(31)13-23(30)14-27(29)34)38(36,37)18-25(35)15-24-7-2-3-9-33-24;29-20-12-24(30)27-25(13-20)34(15-18-5-3-6-19(11-18)23-8-4-10-33-28(23)31)16-26(27)38(36,37)17-22(35)14-21-7-1-2-9-32-21;29-22-12-25(30)28-26(13-22)33(16-19-5-3-6-20(11-19)21-7-4-9-31-15-21)17-27(28)37(35,36)18-24(34)14-23-8-1-2-10-32-23;1-17-8-22(31-36-17)12-23(33)16-37(34,35)26-15-32(25-11-21(28)10-24(29)27(25)26)14-18-4-2-5-19(9-18)20-6-3-7-30-13-20;1-17-9-22(31-36-17)13-23(33)16-37(34,35)26-15-32(25-12-21(28)11-24(29)27(25)26)14-18-3-2-4-20(10-18)19-5-7-30-8-6-19/h2-14,17H,15-16,18H2,1H3;1-13,16H,14-15,17H2;1-13,15,17H,14,16,18H2;2-11,13,15H,12,14,16H2,1H3;2-12,15H,13-14,16H2,1H3.

What are the key properties of 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one?

1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one has a molecular weight of 2627.78 g/mol, XLogP of 25.30, 40 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4,6-difluoro-1-[[3-(2-fluoro-3-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[[3-(2-methyl-4-pyridinyl)phenyl]methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4,6-difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 160722908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).