3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid

C128H135F5N16O15S3 — CID 160645067

About 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid

3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid (PubChem CID 160645067) has the molecular formula C128H135F5N16O15S3 and a molecular weight of 2328.78 g/mol. Its IUPAC name is 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid
• PubChem CID: 160645067
• Molecular Formula: C128H135F5N16O15S3
• Molecular Weight: 2328.78 g/mol
• Exact Mass: 2326.94
• IUPAC Name: 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid
• SMILES: CNS(=O)(=O)c1cccc(-c2cn(CC3(F)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)c1.Cc1noc(C)c1-c1cnc2c(-c3cc(C(=O)O)cs3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)c(O)c3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)s3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cccc(O)c3)cn(CC3(F)CCCCC3)c2c1
• InChI: InChI=1S/C27H28FN3O4.C26H29FN4O3S.2C25H26FN3O3S.C25H26FN3O2/c1-15-24(16(2)35-30-15)19-10-22-25(29-12-19)21(18-4-5-20(26(33)34)23(32)11-18)14-31(22)13-17-6-8-27(3,28)9-7-17;1-17-24(18(2)34-30-17)20-13-23-25(29-14-20)22(15-31(23)16-26(27)10-5-4-6-11-26)19-8-7-9-21(12-19)35(32,33)28-3;1-14-22(15(2)32-28-14)17-8-20-23(27-10-17)19(21-9-18(13-33-21)24(30)31)12-29(20)11-16-4-6-25(3,26)7-5-16;1-14-22(15(2)32-28-14)17-10-19-23(27-11-17)18(20-4-5-21(33-20)24(30)31)13-29(19)12-16-6-8-25(3,26)9-7-16;1-16-23(17(2)31-28-16)19-12-22-24(27-13-19)21(18-7-6-8-20(30)11-18)14-29(22)15-25(26)9-4-3-5-10-25/h4-5,10-12,14,17,32H,6-9,13H2,1-3H3,(H,33,34);7-9,12-15,28H,4-6,10-11,16H2,1-3H3;8-10,12-13,16H,4-7,11H2,1-3H3,(H,30,31);4-5,10-11,13,16H,6-9,12H2,1-3H3,(H,30,31);6-8,11-14,30H,3-5,9-10,15H2,1-2H3
• InChIKey: RJRJPPUKBHOZCI-UHFFFAOYSA-N
• XLogP: 31.51
• TPSA: 417.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.78
LogP ≤ 5	31.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid?

The IUPAC name of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid (CID 160645067) is 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid.

What is the SMILES notation for 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid?

The canonical SMILES for 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid is CNS(=O)(=O)c1cccc(-c2cn(CC3(F)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)c1.Cc1noc(C)c1-c1cnc2c(-c3cc(C(=O)O)cs3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)c(O)c3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)s3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cccc(O)c3)cn(CC3(F)CCCCC3)c2c1.

What is the InChIKey of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid?

The InChIKey is RJRJPPUKBHOZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4.C26H29FN4O3S.2C25H26FN3O3S.C25H26FN3O2/c1-15-24(16(2)35-30-15)19-10-22-25(29-12-19)21(18-4-5-20(26(33)34)23(32)11-18)14-31(22)13-17-6-8-27(3,28)9-7-17;1-17-24(18(2)34-30-17)20-13-23-25(29-14-20)22(15-31(23)16-26(27)10-5-4-6-11-26)19-8-7-9-21(12-19)35(32,33)28-3;1-14-22(15(2)32-28-14)17-8-20-23(27-10-17)19(21-9-18(13-33-21)24(30)31)12-29(20)11-16-4-6-25(3,26)7-5-16;1-14-22(15(2)32-28-14)17-10-19-23(27-11-17)18(20-4-5-21(33-20)24(30)31)13-29(19)12-16-6-8-25(3,26)9-7-16;1-16-23(17(2)31-28-16)19-12-22-24(27-13-19)21(18-7-6-8-20(30)11-18)14-29(22)15-25(26)9-4-3-5-10-25/h4-5,10-12,14,17,32H,6-9,13H2,1-3H3,(H,33,34);7-9,12-15,28H,4-6,10-11,16H2,1-3H3;8-10,12-13,16H,4-7,11H2,1-3H3,(H,30,31);4-5,10-11,13,16H,6-9,12H2,1-3H3,(H,30,31);6-8,11-14,30H,3-5,9-10,15H2,1-2H3.

What are the key properties of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid?

3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid has a molecular weight of 2328.78 g/mol, XLogP of 31.51, 25 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide;3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenol;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-hydroxybenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-2-carboxylic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 160645067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).