3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid

C93H63ClF2N16O8 — CID 158530525

About 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid

3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid (PubChem CID 158530525) has the molecular formula C93H63ClF2N16O8 and a molecular weight of 1606.08 g/mol. Its IUPAC name is 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid.

Molecular Properties

• Compound Name: 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
• PubChem CID: 158530525
• Molecular Formula: C93H63ClF2N16O8
• Molecular Weight: 1606.08 g/mol
• Exact Mass: 1604.47
• IUPAC Name: 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
• SMILES: Cc1cc(C(=O)O)cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)c1.O=C(O)c1cc(Cl)cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)c1.O=C(O)c1cc(F)cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)c1.O=C(O)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc3[nH]ccc23)c1F
• InChI: InChI=1S/C24H18N4O2.C23H15ClN4O2.2C23H15FN4O2/c1-14-11-16(13-17(12-14)24(29)30)20-21(18-7-9-25-23-19(18)8-10-26-23)28-22(27-20)15-5-3-2-4-6-15;24-16-11-14(10-15(12-16)23(29)30)19-20(17-6-8-25-22-18(17)7-9-26-22)28-21(27-19)13-4-2-1-3-5-13;24-18-16(7-4-8-17(18)23(29)30)20-19(14-9-11-25-22-15(14)10-12-26-22)27-21(28-20)13-5-2-1-3-6-13;24-16-11-14(10-15(12-16)23(29)30)19-20(17-6-8-25-22-18(17)7-9-26-22)28-21(27-19)13-4-2-1-3-5-13/h2-13H,1H3,(H,25,26)(H,27,28)(H,29,30);3*1-12H,(H,25,26)(H,27,28)(H,29,30)
• InChIKey: HNHPTUCAASIPOK-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 378.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1606.08
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?

The IUPAC name of 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid (CID 158530525) is 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid.

What is the SMILES notation for 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?

The canonical SMILES for 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid is Cc1cc(C(=O)O)cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)c1.O=C(O)c1cc(Cl)cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)c1.O=C(O)c1cc(F)cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)c1.O=C(O)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc3[nH]ccc23)c1F.

What is the InChIKey of 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?

The InChIKey is HNHPTUCAASIPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2.C23H15ClN4O2.2C23H15FN4O2/c1-14-11-16(13-17(12-14)24(29)30)20-21(18-7-9-25-23-19(18)8-10-26-23)28-22(27-20)15-5-3-2-4-6-15;24-16-11-14(10-15(12-16)23(29)30)19-20(17-6-8-25-22-18(17)7-9-26-22)28-21(27-19)13-4-2-1-3-5-13;24-18-16(7-4-8-17(18)23(29)30)20-19(14-9-11-25-22-15(14)10-12-26-22)27-21(28-20)13-5-2-1-3-6-13;24-16-11-14(10-15(12-16)23(29)30)19-20(17-6-8-25-22-18(17)7-9-26-22)28-21(27-19)13-4-2-1-3-5-13/h2-13H,1H3,(H,25,26)(H,27,28)(H,29,30);3*1-12H,(H,25,26)(H,27,28)(H,29,30).

What are the key properties of 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid?

3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid has a molecular weight of 1606.08 g/mol, XLogP of 21.18, 16 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid is sourced from PubChem (CID 158530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).