2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide

C99H70F2N12O14S3 — CID 157309874

About 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide

2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 157309874) has the molecular formula C99H70F2N12O14S3 and a molecular weight of 1785.92 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
• PubChem CID: 157309874
• Molecular Formula: C99H70F2N12O14S3
• Molecular Weight: 1785.92 g/mol
• Exact Mass: 1784.43
• IUPAC Name: 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
• SMILES: Cc1ncoc1-c1cn(C(=O)N(C)C)c2ncc(-c3ccccc3Oc3ccccc3)cc12.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccc3O)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3ccc(F)cc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
• InChI: InChI=1S/C28H19N3O4S.C26H22N4O3.C23H16N2O4S.C22H13F2N3O3S/c32-36(33,22-11-5-2-6-12-22)31-19-25(28-29-15-16-34-28)24-17-20(18-30-27(24)31)23-13-7-8-14-26(23)35-21-9-3-1-4-10-21;1-17-24(32-16-28-17)22-15-30(26(31)29(2)3)25-21(22)13-18(14-27-25)20-11-7-8-12-23(20)33-19-9-5-4-6-10-19;26-22-9-5-4-8-19(22)17-12-20-21(16-10-11-29-15-16)14-25(23(20)24-13-17)30(27,28)18-6-2-1-3-7-18;23-15-6-7-17(20(24)11-15)14-10-18-19(22-25-8-9-30-22)13-27(21(18)26-12-14)31(28,29)16-4-2-1-3-5-16/h1-19H;4-16H,1-3H3;1-15,26H;1-13H
• InChIKey: BCXJTCYTQIYLCK-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 323.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1785.92
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide?

The IUPAC name of 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide (CID 157309874) is 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide.

What is the SMILES notation for 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide?

The canonical SMILES for 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide is Cc1ncoc1-c1cn(C(=O)N(C)C)c2ncc(-c3ccccc3Oc3ccccc3)cc12.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccc3O)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3ccc(F)cc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.

What is the InChIKey of 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide?

The InChIKey is BCXJTCYTQIYLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O4S.C26H22N4O3.C23H16N2O4S.C22H13F2N3O3S/c32-36(33,22-11-5-2-6-12-22)31-19-25(28-29-15-16-34-28)24-17-20(18-30-27(24)31)23-13-7-8-14-26(23)35-21-9-3-1-4-10-21;1-17-24(32-16-28-17)22-15-30(26(31)29(2)3)25-21(22)13-18(14-27-25)20-11-7-8-12-23(20)33-19-9-5-4-6-10-19;26-22-9-5-4-8-19(22)17-12-20-21(16-10-11-29-15-16)14-25(23(20)24-13-17)30(27,28)18-6-2-1-3-7-18;23-15-6-7-17(20(24)11-15)14-10-18-19(22-25-8-9-30-22)13-27(21(18)26-12-14)31(28,29)16-4-2-1-3-5-16/h1-19H;4-16H,1-3H3;1-15,26H;1-13H.

What are the key properties of 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide?

2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 1785.92 g/mol, XLogP of 22.16, 18 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 157309874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).