4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate

C131H141F7N20O10 — CID 158213442

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate (PubChem CID 158213442) has the molecular formula C131H141F7N20O10 and a molecular weight of 2288.68 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate.

Molecular Properties

• Compound Name: 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate
• PubChem CID: 158213442
• Molecular Formula: C131H141F7N20O10
• Molecular Weight: 2288.68 g/mol
• Exact Mass: 2287.10
• IUPAC Name: 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate
• SMILES: COC(=O)c1ccc(-c2cn(CC3(F)CCC(C)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cc1F.COc1ccc(-c2cn(CC3CCC(C)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cn1.COc1ncc(-c2cn(CC3CCC(C)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cn1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(N)=O)cc3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cccnc3)cn(CC3CCC(C)(F)CC3)c2c1
• InChI: InChI=1S/C28H28F3N3O3.C27H29FN4O2.C26H29FN4O2.C25H28FN5O2.C25H27FN4O/c1-16-24(17(2)37-33-16)19-12-23-25(32-13-19)21(18-5-6-20(22(29)11-18)26(35)36-4)14-34(23)15-28(31)9-7-27(3,30)8-10-28;1-16-24(17(2)34-31-16)21-12-23-25(30-13-21)22(19-4-6-20(7-5-19)26(29)33)15-32(23)14-18-8-10-27(3,28)11-9-18;1-16-24(17(2)33-30-16)20-11-22-25(29-13-20)21(19-5-6-23(32-4)28-12-19)15-31(22)14-18-7-9-26(3,27)10-8-18;1-15-22(16(2)33-30-15)18-9-21-23(27-10-18)20(19-11-28-24(32-4)29-12-19)14-31(21)13-17-5-7-25(3,26)8-6-17;1-16-23(17(2)31-29-16)20-11-22-24(28-13-20)21(19-5-4-10-27-12-19)15-30(22)14-18-6-8-25(3,26)9-7-18/h5-6,11-14H,7-10,15H2,1-4H3;4-7,12-13,15,18H,8-11,14H2,1-3H3,(H2,29,33);5-6,11-13,15,18H,7-10,14H2,1-4H3;9-12,14,17H,5-8,13H2,1-4H3;4-5,10-13,15,18H,6-9,14H2,1-3H3
• InChIKey: GCIVTONARSPOGS-UHFFFAOYSA-N
• XLogP: 31.18
• TPSA: 358.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2288.68
LogP ≤ 5	31.18
H-Bond Donors ≤ 5	1
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 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate?

The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate (CID 158213442) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate.

What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate?

The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate is COC(=O)c1ccc(-c2cn(CC3(F)CCC(C)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cc1F.COc1ccc(-c2cn(CC3CCC(C)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cn1.COc1ncc(-c2cn(CC3CCC(C)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cn1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(N)=O)cc3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cccnc3)cn(CC3CCC(C)(F)CC3)c2c1.

What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate?

The InChIKey is GCIVTONARSPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O3.C27H29FN4O2.C26H29FN4O2.C25H28FN5O2.C25H27FN4O/c1-16-24(17(2)37-33-16)19-12-23-25(32-13-19)21(18-5-6-20(22(29)11-18)26(35)36-4)14-34(23)15-28(31)9-7-27(3,30)8-10-28;1-16-24(17(2)34-31-16)21-12-23-25(30-13-21)22(19-4-6-20(7-5-19)26(29)33)15-32(23)14-18-8-10-27(3,28)11-9-18;1-16-24(17(2)33-30-16)20-11-22-25(29-13-20)21(19-5-6-23(32-4)28-12-19)15-31(22)14-18-7-9-26(3,27)10-8-18;1-15-22(16(2)33-30-15)18-9-21-23(27-10-18)20(19-11-28-24(32-4)29-12-19)14-31(21)13-17-5-7-25(3,26)8-6-17;1-16-23(17(2)31-29-16)20-11-22-24(28-13-20)21(19-5-4-10-27-12-19)15-30(22)14-18-6-8-25(3,26)9-7-18/h5-6,11-14H,7-10,15H2,1-4H3;4-7,12-13,15,18H,8-11,14H2,1-3H3,(H2,29,33);5-6,11-13,15,18H,7-10,14H2,1-4H3;9-12,14,17H,5-8,13H2,1-4H3;4-5,10-13,15,18H,6-9,14H2,1-3H3.

What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate?

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate has a molecular weight of 2288.68 g/mol, XLogP of 31.18, 24 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate is sourced from PubChem (CID 158213442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).