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

C65H48N10O7S — CID 159925044

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-[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 (PubChem CID 159925044) has the molecular formula C65H48N10O7S and a molecular weight of 1113.23 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.

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
• PubChem CID: 159925044
• Molecular Formula: C65H48N10O7S
• Molecular Weight: 1113.23 g/mol
• Exact Mass: 1112.34
• 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
• SMILES: C=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CCOC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1
• InChI: InChI=1S/C28H20N4O3S.C19H15N3O3.C18H13N3O/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;1-2-24-19(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/h1-19H,(H,29,30);3-11H,2H2,1H3,(H,21,22);2-11H,1H2,(H,20,21)
• InChIKey: NYXCVNGAVMUEDE-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 225.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.23
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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?

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 (CID 159925044) 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.

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?

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 is C=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CCOC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.

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?

The InChIKey is NYXCVNGAVMUEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O3S.C19H15N3O3.C18H13N3O/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;1-2-24-19(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/h1-19H,(H,29,30);3-11H,2H2,1H3,(H,21,22);2-11H,1H2,(H,20,21).

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-[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 has a molecular weight of 1113.23 g/mol, XLogP of 14.71, 13 rotatable bonds, 3 hydrogen bond donors, and 14 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 is sourced from PubChem (CID 159925044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).