4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one

C83H56F9N15O5 — CID 162255735

About 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one

4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 162255735) has the molecular formula C83H56F9N15O5 and a molecular weight of 1514.44 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
• PubChem CID: 162255735
• Molecular Formula: C83H56F9N15O5
• Molecular Weight: 1514.44 g/mol
• Exact Mass: 1513.44
• IUPAC Name: 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
• SMILES: C=Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.CCN1CCC(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1.Fc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cn1.O=c1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c[nH]1
• InChI: InChI=1S/C23H22F2N4O.C21H11F3N4O.C21H12F2N4O2.C18H11F2N3O/c1-2-29-8-6-14(7-9-29)15-10-17-18(12-27-23(17)26-11-15)22-19(13-28-30-22)16-4-3-5-20(24)21(16)25;22-17-3-1-2-13(19(17)24)16-10-28-29-20(16)15-9-27-21-14(15)6-12(8-26-21)11-4-5-18(23)25-7-11;22-17-3-1-2-13(19(17)23)16-10-27-29-20(16)15-9-26-21-14(15)6-12(8-25-21)11-4-5-18(28)24-7-11;1-2-10-6-12-13(8-22-18(12)21-7-10)17-14(9-23-24-17)11-4-3-5-15(19)16(11)20/h3-5,10-14H,2,6-9H2,1H3,(H,26,27);1-10H,(H,26,27);1-10H,(H,24,28)(H,25,26);2-9H,1H2,(H,21,22)
• InChIKey: ZYOLJJYQJHVYGP-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 267.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1514.44
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one (CID 162255735) is 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one.

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

The canonical SMILES for 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one is C=Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1.CCN1CCC(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1.Fc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cn1.O=c1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c[nH]1.

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

The InChIKey is ZYOLJJYQJHVYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O.C21H11F3N4O.C21H12F2N4O2.C18H11F2N3O/c1-2-29-8-6-14(7-9-29)15-10-17-18(12-27-23(17)26-11-15)22-19(13-28-30-22)16-4-3-5-20(24)21(16)25;22-17-3-1-2-13(19(17)24)16-10-28-29-20(16)15-9-27-21-14(15)6-12(8-26-21)11-4-5-18(23)25-7-11;22-17-3-1-2-13(19(17)23)16-10-27-29-20(16)15-9-26-21-14(15)6-12(8-25-21)11-4-5-18(28)24-7-11;1-2-10-6-12-13(8-22-18(12)21-7-10)17-14(9-23-24-17)11-4-3-5-15(19)16(11)20/h3-5,10-14H,2,6-9H2,1H3,(H,26,27);1-10H,(H,26,27);1-10H,(H,24,28)(H,25,26);2-9H,1H2,(H,21,22).

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

4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1514.44 g/mol, XLogP of 20.05, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-difluorophenyl)-5-(5-ethenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(1-ethylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;5-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 162255735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).