5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide

C61H63Br3F4N10O12S4 — CID 158519826

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide

5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide (PubChem CID 158519826) has the molecular formula C61H63Br3F4N10O12S4 and a molecular weight of 1572.20 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
• PubChem CID: 158519826
• Molecular Formula: C61H63Br3F4N10O12S4
• Molecular Weight: 1572.20 g/mol
• Exact Mass: 1568.10
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
• SMILES: Brc1cnc2[nH]ccc2c1.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(C(O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(C=O)c1F.CCCS(=O)(=O)Nc1cccc(CO)c1F
• InChI: InChI=1S/C17H17BrFN3O3S.C17H15BrFN3O3S.C10H14FNO3S.C10H12FNO3S.C7H5BrN2/c2*1-2-6-26(24,25)22-14-5-3-4-11(15(14)19)16(23)13-9-21-17-12(13)7-10(18)8-20-17;2*1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11;8-6-3-5-1-2-9-7(5)10-4-6/h3-5,7-9,16,22-23H,2,6H2,1H3,(H,20,21);3-5,7-9,22H,2,6H2,1H3,(H,20,21);3-5,12-13H,2,6-7H2,1H3;3-5,7,12H,2,6H2,1H3;1-4H,(H,9,10)
• InChIKey: HMBUBSKLPCIHQM-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 345.32 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1572.20
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide (CID 158519826) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide is Brc1cnc2[nH]ccc2c1.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(C(O)c2c[nH]c3ncc(Br)cc23)c1F.CCCS(=O)(=O)Nc1cccc(C=O)c1F.CCCS(=O)(=O)Nc1cccc(CO)c1F.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?

The InChIKey is HMBUBSKLPCIHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O3S.C17H15BrFN3O3S.C10H14FNO3S.C10H12FNO3S.C7H5BrN2/c2*1-2-6-26(24,25)22-14-5-3-4-11(15(14)19)16(23)13-9-21-17-12(13)7-10(18)8-20-17;2*1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11;8-6-3-5-1-2-9-7(5)10-4-6/h3-5,7-9,16,22-23H,2,6H2,1H3,(H,20,21);3-5,7-9,22H,2,6H2,1H3,(H,20,21);3-5,12-13H,2,6-7H2,1H3;3-5,7,12H,2,6H2,1H3;1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?

5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide has a molecular weight of 1572.20 g/mol, XLogP of 13.13, 22 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 158519826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).