5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine

C58H72Br2N10Si2 — CID 159103635

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine (PubChem CID 159103635) has the molecular formula C58H72Br2N10Si2 and a molecular weight of 1125.26 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine
• PubChem CID: 159103635
• Molecular Formula: C58H72Br2N10Si2
• Molecular Weight: 1125.26 g/mol
• Exact Mass: 1122.38
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Nc3ccccc3)cnc21.c1ccc(Nc2cnc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C22H31N3Si.C16H25BrN2Si.C13H11N3.C7H5BrN2/c1-16(2)26(17(3)4,18(5)6)25-13-12-19-14-21(15-23-22(19)25)24-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12;8-6-3-5-1-2-9-7(5)10-4-6/h7-18,24H,1-6H3;7-13H,1-6H3;1-9,16H,(H,14,15);1-4H,(H,9,10)
• InChIKey: KDPHZJXQBZGBLD-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 117.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.26
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine (CID 159103635) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine is Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Nc3ccccc3)cnc21.c1ccc(Nc2cnc3[nH]ccc3c2)cc1.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

The InChIKey is KDPHZJXQBZGBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3Si.C16H25BrN2Si.C13H11N3.C7H5BrN2/c1-16(2)26(17(3)4,18(5)6)25-13-12-19-14-21(15-23-22(19)25)24-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12;8-6-3-5-1-2-9-7(5)10-4-6/h7-18,24H,1-6H3;7-13H,1-6H3;1-9,16H,(H,14,15);1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 1125.26 g/mol, XLogP of 18.26, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 159103635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).