4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

C88H54F9N17O6 — CID 160597802

About 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (PubChem CID 160597802) has the molecular formula C88H54F9N17O6 and a molecular weight of 1616.49 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

Molecular Properties

• Compound Name: 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
• PubChem CID: 160597802
• Molecular Formula: C88H54F9N17O6
• Molecular Weight: 1616.49 g/mol
• Exact Mass: 1615.43
• IUPAC Name: 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
• SMILES: CN(C)C(=O)c1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)nc1.COc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccccn4)cc23)c1F.Fc1cccnc1-c1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1
• InChI: InChI=1S/C24H17F2N5O2.C22H14F2N4O2.C21H11F3N4O.C21H12F2N4O/c1-31(2)24(32)13-6-7-20(27-9-13)14-8-16-17(11-29-23(16)28-10-14)22-18(12-30-33-22)15-4-3-5-19(25)21(15)26;1-29-13-5-6-25-19(8-13)12-7-15-16(10-27-22(15)26-9-12)21-17(11-28-30-21)14-3-2-4-18(23)20(14)24;22-16-4-1-3-12(18(16)24)15-10-28-29-20(15)14-9-27-21-13(14)7-11(8-26-21)19-17(23)5-2-6-25-19;22-17-5-3-4-13(19(17)23)16-11-27-28-20(16)15-10-26-21-14(15)8-12(9-25-21)18-6-1-2-7-24-18/h3-12H,1-2H3,(H,28,29);2-11H,1H3,(H,26,27);1-10H,(H,26,27);1-11H,(H,25,26)
• InChIKey: RDWGDDRNPOOPAK-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 299.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.49
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (CID 160597802) is 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

What is the SMILES notation for 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The canonical SMILES for 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is CN(C)C(=O)c1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)nc1.COc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccccn4)cc23)c1F.Fc1cccnc1-c1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.

What is the InChIKey of 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The InChIKey is RDWGDDRNPOOPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2.C22H14F2N4O2.C21H11F3N4O.C21H12F2N4O/c1-31(2)24(32)13-6-7-20(27-9-13)14-8-16-17(11-29-23(16)28-10-14)22-18(12-30-33-22)15-4-3-5-19(25)21(15)26;1-29-13-5-6-25-19(8-13)12-7-15-16(10-27-22(15)26-9-12)21-17(11-28-30-21)14-3-2-4-18(23)20(14)24;22-16-4-1-3-12(18(16)24)15-10-28-29-20(15)14-9-27-21-13(14)7-11(8-26-21)19-17(23)5-2-6-25-19;22-17-5-3-4-13(19(17)23)16-11-27-28-20(16)15-10-26-21-14(15)8-12(9-25-21)18-6-1-2-7-24-18/h3-12H,1-2H3,(H,28,29);2-11H,1H3,(H,26,27);1-10H,(H,26,27);1-11H,(H,25,26).

What are the key properties of 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole has a molecular weight of 1616.49 g/mol, XLogP of 20.75, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-difluorophenyl)-5-[5-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(4-methoxy-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;4-(2,3-difluorophenyl)-5-(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is sourced from PubChem (CID 160597802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).