2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide

C101H76N14O10S — CID 158489935

About 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide

2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide (PubChem CID 158489935) has the molecular formula C101H76N14O10S and a molecular weight of 1677.87 g/mol. Its IUPAC name is 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide
• PubChem CID: 158489935
• Molecular Formula: C101H76N14O10S
• Molecular Weight: 1677.87 g/mol
• Exact Mass: 1676.56
• IUPAC Name: 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide
• SMILES: CC(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CS(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1
• InChI: InChI=1S/C30H21N3O3.C19H15N3O2.C18H15N3O2S.C17H13N3O.C17H12N2O2/c34-30(33-22-9-3-1-4-10-22)28-16-21(19-35-28)26-18-32-29-25(26)15-20(17-31-29)24-13-7-8-14-27(24)36-23-11-5-2-6-12-23;1-12(23)22-18-5-3-2-4-15(18)14-8-16-17(13-6-7-24-11-13)10-21-19(16)20-9-14;1-24(22)21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-23-11-12)10-20-18(15)19-9-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-19H,(H,31,32)(H,33,34);2-11H,1H3,(H,20,21)(H,22,23);2-11,21H,1H3,(H,19,20);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19)
• InChIKey: HIONIHNIPAYRHK-UHFFFAOYSA-N
• XLogP: 24.45
• TPSA: 351.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1677.87
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?

The IUPAC name of 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide (CID 158489935) is 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide.

What is the SMILES notation for 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?

The canonical SMILES for 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide is CC(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CS(=O)Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.

What is the InChIKey of 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?

The InChIKey is HIONIHNIPAYRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O3.C19H15N3O2.C18H15N3O2S.C17H13N3O.C17H12N2O2/c34-30(33-22-9-3-1-4-10-22)28-16-21(19-35-28)26-18-32-29-25(26)15-20(17-31-29)24-13-7-8-14-27(24)36-23-11-5-2-6-12-23;1-12(23)22-18-5-3-2-4-15(18)14-8-16-17(13-6-7-24-11-13)10-21-19(16)20-9-14;1-24(22)21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-23-11-12)10-20-18(15)19-9-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-19H,(H,31,32)(H,33,34);2-11H,1H3,(H,20,21)(H,22,23);2-11,21H,1H3,(H,19,20);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19).

What are the key properties of 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide?

2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide has a molecular weight of 1677.87 g/mol, XLogP of 24.45, 17 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfinamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 158489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).