4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C125H129F7N20O11 — CID 158485576

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158485576) has the molecular formula C125H129F7N20O11 and a molecular weight of 2220.52 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158485576
• Molecular Formula: C125H129F7N20O11
• Molecular Weight: 2220.52 g/mol
• Exact Mass: 2219.00
• IUPAC Name: 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: COc1ccc(-c2cn(CC3(F)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cn1.Cc1noc(C)c1-c1cnc2c(-c3ccc(=O)n(C)c3)cn(CC3(F)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)c(F)c3)cn(CC3(F)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)cc3F)cn(CC3(F)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnc(N)cn3)cn(CC3(F)CCCCC3)c2c1
• InChI: InChI=1S/2C26H25F2N3O3.2C25H27FN4O2.C23H25FN6O/c1-15-23(16(2)34-30-15)18-11-22-24(29-12-18)20(19-7-6-17(25(32)33)10-21(19)27)13-31(22)14-26(28)8-4-3-5-9-26;1-15-23(16(2)34-30-15)18-11-22-24(29-12-18)20(17-6-7-19(25(32)33)21(27)10-17)13-31(22)14-26(28)8-4-3-5-9-26;1-16-23(17(2)32-28-16)19-11-21-24(27-12-19)20(18-7-8-22(31)29(3)13-18)14-30(21)15-25(26)9-5-4-6-10-25;1-16-23(17(2)32-29-16)19-11-21-24(28-13-19)20(18-7-8-22(31-3)27-12-18)14-30(21)15-25(26)9-5-4-6-10-25;1-14-21(15(2)31-29-14)16-8-19-22(28-9-16)17(18-10-27-20(25)11-26-18)12-30(19)13-23(24)6-4-3-5-7-23/h2*6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,32,33);2*7-8,11-14H,4-6,9-10,15H2,1-3H3;8-12H,3-7,13H2,1-2H3,(H2,25,27)
• InChIKey: HIBCLYJXNGRBLA-UHFFFAOYSA-N
• XLogP: 29.39
• TPSA: 389.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2220.52
LogP ≤ 5	29.39
H-Bond Donors ≤ 5	3
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-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 158485576) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2cn(CC3(F)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cn1.Cc1noc(C)c1-c1cnc2c(-c3ccc(=O)n(C)c3)cn(CC3(F)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)c(F)c3)cn(CC3(F)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)cc3F)cn(CC3(F)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnc(N)cn3)cn(CC3(F)CCCCC3)c2c1.

What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is HIBCLYJXNGRBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H25F2N3O3.2C25H27FN4O2.C23H25FN6O/c1-15-23(16(2)34-30-15)18-11-22-24(29-12-18)20(19-7-6-17(25(32)33)10-21(19)27)13-31(22)14-26(28)8-4-3-5-9-26;1-15-23(16(2)34-30-15)18-11-22-24(29-12-18)20(17-6-7-19(25(32)33)21(27)10-17)13-31(22)14-26(28)8-4-3-5-9-26;1-16-23(17(2)32-28-16)19-11-21-24(27-12-19)20(18-7-8-22(31)29(3)13-18)14-30(21)15-25(26)9-5-4-6-10-25;1-16-23(17(2)32-29-16)19-11-21-24(28-13-19)20(18-7-8-22(31-3)27-12-18)14-30(21)15-25(26)9-5-4-6-10-25;1-14-21(15(2)31-29-14)16-8-19-22(28-9-16)17(18-10-27-20(25)11-26-18)12-30(19)13-23(24)6-4-3-5-7-23/h2*6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,32,33);2*7-8,11-14H,4-6,9-10,15H2,1-3H3;8-12H,3-7,13H2,1-2H3,(H2,25,27).

What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2220.52 g/mol, XLogP of 29.39, 23 rotatable bonds, 3 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-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-3-fluorobenzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrazin-2-amine;4-[1-[(1-fluorocyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158485576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).