3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide

C108H82N16O11S — CID 158141858

About 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide (PubChem CID 158141858) has the molecular formula C108H82N16O11S and a molecular weight of 1812.01 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide
• PubChem CID: 158141858
• Molecular Formula: C108H82N16O11S
• Molecular Weight: 1812.01 g/mol
• Exact Mass: 1810.61
• IUPAC Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide
• SMILES: C=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CCOC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1
• InChI: InChI=1S/C28H20N4O3S.C27H23N3O3.C19H15N3O3.C18H13N3O.C16H11N3O/c33-36(34,23-11-5-2-6-12-23)32-19-21(17-31-32)26-18-30-28-25(26)15-20(16-29-28)24-13-7-8-14-27(24)35-22-9-3-1-4-10-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-2-24-19(23)14-6-4-3-5-13(14)12-7-15-16(17-10-20-11-25-17)9-22-18(15)21-8-12;1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13;1-2-5-17-15(3-1)12-7-13-14(11-4-6-20-10-11)9-19-16(13)18-8-12/h1-19H,(H,29,30);3-11,13-17H,2,12H2,1H3,(H,28,31)(H,29,30);3-11H,2H2,1H3,(H,21,22);2-11H,1H2,(H,20,21);1-10H,(H,18,19)
• InChIKey: FUAPNZDCCGVCBA-UHFFFAOYSA-N
• XLogP: 25.02
• TPSA: 360.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1812.01
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide?

The IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide (CID 158141858) is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide.

What is the SMILES notation for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide?

The canonical SMILES for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide is C=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CCOC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1.

What is the InChIKey of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide?

The InChIKey is FUAPNZDCCGVCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O3S.C27H23N3O3.C19H15N3O3.C18H13N3O.C16H11N3O/c33-36(34,23-11-5-2-6-12-23)32-19-21(17-31-32)26-18-30-28-25(26)15-20(16-29-28)24-13-7-8-14-27(24)35-22-9-3-1-4-10-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-2-24-19(23)14-6-4-3-5-13(14)12-7-15-16(17-10-20-11-25-17)9-22-18(15)21-8-12;1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13;1-2-5-17-15(3-1)12-7-13-14(11-4-6-20-10-11)9-19-16(13)18-8-12/h1-19H,(H,29,30);3-11,13-17H,2,12H2,1H3,(H,28,31)(H,29,30);3-11H,2H2,1H3,(H,21,22);2-11H,1H2,(H,20,21);1-10H,(H,18,19).

What are the key properties of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide?

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide has a molecular weight of 1812.01 g/mol, XLogP of 25.02, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 158141858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).