(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone

C51H57BrMnN6O5Si — CID 158877504

About (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 158877504) has the molecular formula C51H57BrMnN6O5Si and a molecular weight of 996.98 g/mol. Its IUPAC name is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
• PubChem CID: 158877504
• Molecular Formula: C51H57BrMnN6O5Si
• Molecular Weight: 996.98 g/mol
• Exact Mass: 995.27
• IUPAC Name: (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
• SMILES: CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.Cc1ccc(C(=O)c2cnc3[nH]ccc3c2)cc1.Cc1ccc(C(O)c2cnc3c(c2)CCN3)cc1.Cc1ccc(C=O)cc1.O=[Mn]=O
• InChI: InChI=1S/C15H16N2O.C15H12N2O.C13H21BrN2Si.C8H8O.Mn.2O/c2*1-10-2-4-11(5-3-10)14(18)13-8-12-6-7-16-15(12)17-9-13;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-7-2-4-8(6-9)5-3-7;;;/h2-5,8-9,14,18H,6-7H2,1H3,(H,16,17);2-9H,1H3,(H,16,17);8-9H,6-7H2,1-5H3;2-6H,1H3
• InChIKey: DAWIRVNUTHPUKR-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 158.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.98
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

The IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone (CID 158877504) is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone.

What is the SMILES notation for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

The canonical SMILES for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.Cc1ccc(C(=O)c2cnc3[nH]ccc3c2)cc1.Cc1ccc(C(O)c2cnc3c(c2)CCN3)cc1.Cc1ccc(C=O)cc1.O=[Mn]=O.

What is the InChIKey of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

The InChIKey is DAWIRVNUTHPUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C15H12N2O.C13H21BrN2Si.C8H8O.Mn.2O/c2*1-10-2-4-11(5-3-10)14(18)13-8-12-6-7-16-15(12)17-9-13;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-7-2-4-8(6-9)5-3-7;;;/h2-5,8-9,14,18H,6-7H2,1H3,(H,16,17);2-9H,1H3,(H,16,17);8-9H,6-7H2,1-5H3;2-6H,1H3;;;.

What are the key properties of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 996.98 g/mol, XLogP of 11.32, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;dioxomanganese;4-methylbenzaldehyde;(4-methylphenyl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 158877504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).