4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

C89H63F8N15O4 — CID 157440402

About 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (PubChem CID 157440402) has the molecular formula C89H63F8N15O4 and a molecular weight of 1558.57 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

Molecular Properties

• Compound Name: 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
• PubChem CID: 157440402
• Molecular Formula: C89H63F8N15O4
• Molecular Weight: 1558.57 g/mol
• Exact Mass: 1557.51
• IUPAC Name: 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
• SMILES: CN(C)c1cccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.CN1CCC(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccccc4)cc23)c1F.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4cccnc4)cc23)c1F
• InChI: InChI=1S/C24H18F2N4O.C22H20F2N4O.C22H13F2N3O.C21H12F2N4O/c1-30(2)16-6-3-5-14(9-16)15-10-18-19(12-28-24(18)27-11-15)23-20(13-29-31-23)17-7-4-8-21(25)22(17)26;1-28-7-5-13(6-8-28)14-9-16-17(11-26-22(16)25-10-14)21-18(12-27-29-21)15-3-2-4-19(23)20(15)24;23-19-8-4-7-15(20(19)24)18-12-27-28-21(18)17-11-26-22-16(17)9-14(10-25-22)13-5-2-1-3-6-13;22-18-5-1-4-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)7-13(9-25-21)12-3-2-6-24-8-12/h3-13H,1-2H3,(H,27,28);2-4,9-13H,5-8H2,1H3,(H,25,26);1-12H,(H,25,26);1-11H,(H,25,26)
• InChIKey: BRPLYVMMXCQXDR-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 238.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.57
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (CID 157440402) is 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

What is the SMILES notation for 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The canonical SMILES for 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is CN(C)c1cccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.CN1CCC(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccccc4)cc23)c1F.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.

What is the InChIKey of 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

The InChIKey is BRPLYVMMXCQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O.C22H20F2N4O.C22H13F2N3O.C21H12F2N4O/c1-30(2)16-6-3-5-14(9-16)15-10-18-19(12-28-24(18)27-11-15)23-20(13-29-31-23)17-7-4-8-21(25)22(17)26;1-28-7-5-13(6-8-28)14-9-16-17(11-26-22(16)25-10-14)21-18(12-27-29-21)15-3-2-4-19(23)20(15)24;23-19-8-4-7-15(20(19)24)18-12-27-28-21(18)17-11-26-22-16(17)9-14(10-25-22)13-5-2-1-3-6-13;22-18-5-1-4-14(19(18)23)17-11-27-28-20(17)16-10-26-21-15(16)7-13(9-25-21)12-3-2-6-24-8-12/h3-13H,1-2H3,(H,27,28);2-4,9-13H,5-8H2,1H3,(H,25,26);1-12H,(H,25,26);1-11H,(H,25,26).

What are the key properties of 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?

4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole has a molecular weight of 1558.57 g/mol, XLogP of 21.92, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-difluorophenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(2,3-difluorophenyl)-5-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is sourced from PubChem (CID 157440402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).