5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide

C58H44Br4N16O9S2 — CID 158030440

About 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide

5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 158030440) has the molecular formula C58H44Br4N16O9S2 and a molecular weight of 1492.84 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
• PubChem CID: 158030440
• Molecular Formula: C58H44Br4N16O9S2
• Molecular Weight: 1492.84 g/mol
• Exact Mass: 1487.97
• IUPAC Name: 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
• SMILES: CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.Cc1ncoc1-c1cn(C(=O)N(C)C)c2ncc(Br)cc12.O=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(Br)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncn[nH]2)c2cc(Br)cnc21
• InChI: InChI=1S/C16H10BrN3O3S.C15H10BrN5O2S.C14H13BrN4O2.C13H11BrN4O2/c17-11-6-13-14(15-8-18-10-23-15)9-20(16(13)19-7-11)24(21,22)12-4-2-1-3-5-12;16-10-6-12-13(14-18-9-19-20-14)8-21(15(12)17-7-10)24(22,23)11-4-2-1-3-5-11;1-8-12(21-7-17-8)11-6-19(14(20)18(2)3)13-10(11)4-9(15)5-16-13;1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h1-10H;1-9H,(H,18,19,20);4-7H,1-3H3;3-7H,1-2H3
• InChIKey: FHCQHDJNUXAJDL-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 299.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.84
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?

The IUPAC name of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide (CID 158030440) is 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide.

What is the SMILES notation for 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?

The canonical SMILES for 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide is CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.Cc1ncoc1-c1cn(C(=O)N(C)C)c2ncc(Br)cc12.O=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(Br)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncn[nH]2)c2cc(Br)cnc21.

What is the InChIKey of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?

The InChIKey is FHCQHDJNUXAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O3S.C15H10BrN5O2S.C14H13BrN4O2.C13H11BrN4O2/c17-11-6-13-14(15-8-18-10-23-15)9-20(16(13)19-7-11)24(21,22)12-4-2-1-3-5-12;16-10-6-12-13(14-18-9-19-20-14)8-21(15(12)17-7-10)24(22,23)11-4-2-1-3-5-11;1-8-12(21-7-17-8)11-6-19(14(20)18(2)3)13-10(11)4-9(15)5-16-13;1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h1-10H;1-9H,(H,18,19,20);4-7H,1-3H3;3-7H,1-2H3.

What are the key properties of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?

5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 1492.84 g/mol, XLogP of 12.79, 8 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;1-(benzenesulfonyl)-5-bromo-3-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 158030440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).