(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C60H81BrN8O2Si2 — CID 157101836

About (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 157101836) has the molecular formula C60H81BrN8O2Si2 and a molecular weight of 1082.44 g/mol. Its IUPAC name is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 157101836
• Molecular Formula: C60H81BrN8O2Si2
• Molecular Weight: 1082.44 g/mol
• Exact Mass: 1080.52
• IUPAC Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CCc1cnc2[nH]cc(C(=O)c3cccc(OC)c3)c2c1.CCc1cnc2[nH]ccc2c1.CCc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1
• InChI: InChI=1S/C18H30N2Si.C17H16N2O2.C16H25BrN2Si.C9H10N2/c1-8-16-11-17-9-10-20(18(17)19-12-16)21(13(2)3,14(4)5)15(6)7;1-3-11-7-14-15(10-19-17(14)18-9-11)16(20)12-5-4-6-13(8-12)21-2;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-7-5-8-3-4-10-9(8)11-6-7/h9-15H,8H2,1-7H3;4-10H,3H2,1-2H3,(H,18,19);7-13H,1-6H3;3-6H,2H2,1H3,(H,10,11)
• InChIKey: AFVSTYIVCAOEFJ-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 119.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.44
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	2
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-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 157101836) is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

What is the SMILES notation for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The canonical SMILES for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CCc1cnc2[nH]cc(C(=O)c3cccc(OC)c3)c2c1.CCc1cnc2[nH]ccc2c1.CCc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1.

What is the InChIKey of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is AFVSTYIVCAOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2Si.C17H16N2O2.C16H25BrN2Si.C9H10N2/c1-8-16-11-17-9-10-20(18(17)19-12-16)21(13(2)3,14(4)5)15(6)7;1-3-11-7-14-15(10-19-17(14)18-9-11)16(20)12-5-4-6-13(8-12)21-2;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-7-5-8-3-4-10-9(8)11-6-7/h9-15H,8H2,1-7H3;4-10H,3H2,1-2H3,(H,18,19);7-13H,1-6H3;3-6H,2H2,1H3,(H,10,11).

What are the key properties of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 1082.44 g/mol, XLogP of 16.93, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-ethyl-1H-pyrrolo[2,3-b]pyridine;(5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;(5-ethylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 157101836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).