5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone

C99H86BrFI2N14O12S2 — CID 159929094

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone

5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone (PubChem CID 159929094) has the molecular formula C99H86BrFI2N14O12S2 and a molecular weight of 2080.71 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
• PubChem CID: 159929094
• Molecular Formula: C99H86BrFI2N14O12S2
• Molecular Weight: 2080.71 g/mol
• Exact Mass: 2078.32
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
• SMILES: Brc1cnc2[nH]ccc2c1.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3F)c3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc32)cc1.O=C(c1cccc(-c2cnc3[nH]cc(I)c3c2)c1)N1CCOCC1.O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1
• InChI: InChI=1S/C31H26FN3O4S.C25H22IN3O4S.C18H16IN3O2.C18H17N3O2.C7H5BrN2/c1-21-9-11-25(12-10-21)40(37,38)35-20-28(26-7-2-3-8-29(26)32)27-18-24(19-33-30(27)35)22-5-4-6-23(17-22)31(36)34-13-15-39-16-14-34;1-17-5-7-21(8-6-17)34(31,32)29-16-23(26)22-14-20(15-27-24(22)29)18-3-2-4-19(13-18)25(30)28-9-11-33-12-10-28;19-16-11-21-17-15(16)9-14(10-20-17)12-2-1-3-13(8-12)18(23)22-4-6-24-7-5-22;22-18(21-6-8-23-9-7-21)15-3-1-2-13(10-15)16-11-14-4-5-19-17(14)20-12-16;8-6-3-5-1-2-9-7(5)10-4-6/h2-12,17-20H,13-16H2,1H3;2-8,13-16H,9-12H2,1H3;1-3,8-11H,4-7H2,(H,20,21);1-5,10-12H,6-9H2,(H,19,20);1-4H,(H,9,10)
• InChIKey: NZKGDANLQIUWGL-UHFFFAOYSA-N
• XLogP: 18.19
• TPSA: 308.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.71
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone (CID 159929094) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone is Brc1cnc2[nH]ccc2c1.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3F)c3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc32)cc1.O=C(c1cccc(-c2cnc3[nH]cc(I)c3c2)c1)N1CCOCC1.O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?

The InChIKey is NZKGDANLQIUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O4S.C25H22IN3O4S.C18H16IN3O2.C18H17N3O2.C7H5BrN2/c1-21-9-11-25(12-10-21)40(37,38)35-20-28(26-7-2-3-8-29(26)32)27-18-24(19-33-30(27)35)22-5-4-6-23(17-22)31(36)34-13-15-39-16-14-34;1-17-5-7-21(8-6-17)34(31,32)29-16-23(26)22-14-20(15-27-24(22)29)18-3-2-4-19(13-18)25(30)28-9-11-33-12-10-28;19-16-11-21-17-15(16)9-14(10-20-17)12-2-1-3-13(8-12)18(23)22-4-6-24-7-5-22;22-18(21-6-8-23-9-7-21)15-3-1-2-13(10-15)16-11-14-4-5-19-17(14)20-12-16;8-6-3-5-1-2-9-7(5)10-4-6/h2-12,17-20H,13-16H2,1H3;2-8,13-16H,9-12H2,1H3;1-3,8-11H,4-7H2,(H,20,21);1-5,10-12H,6-9H2,(H,19,20);1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?

5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone has a molecular weight of 2080.71 g/mol, XLogP of 18.19, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone is sourced from PubChem (CID 159929094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).