(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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane

C33H51BrMnN6O2Si3 — CID 158671596

IUPAC(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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.C[Si](C)(C)c1cnc2[nH]ccc2c1.C[Si](C)(C)c1cnc2c(c1)CCN2.O=[Mn]=O
InChIInChI=1S/C13H21BrN2Si.C10H16N2Si.C10H14N2Si.Mn.2O/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;2*1-13(2,3)9-6-8-4-5-11-10(8)12-7-9;;;/h8-9H,6-7H2,1-5H3;6-7H,4-5H2,1-3H3,(H,11,12);4-7H,1-3H3,(H,11,12);;;
InChIKeyRLZIKBJOOJHPOX-UHFFFAOYSA-N
MW782.91 g/mol
LogP7.67
Rot. Bonds3

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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane

(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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane (PubChem CID 158671596) has the molecular formula C33H51BrMnN6O2Si3 and a molecular weight of 782.91 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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane.

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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane
PubChem CID158671596
Molecular FormulaC33H51BrMnN6O2Si3
Molecular Weight782.91 g/mol
Exact Mass781.19
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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.C[Si](C)(C)c1cnc2[nH]ccc2c1.C[Si](C)(C)c1cnc2c(c1)CCN2.O=[Mn]=O
InChIInChI=1S/C13H21BrN2Si.C10H16N2Si.C10H14N2Si.Mn.2O/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;2*1-13(2,3)9-6-8-4-5-11-10(8)12-7-9;;;/h8-9H,6-7H2,1-5H3;6-7H,4-5H2,1-3H3,(H,11,12);4-7H,1-3H3,(H,11,12);;;
InChIKeyRLZIKBJOOJHPOX-UHFFFAOYSA-N
XLogP7.67
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.91
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane with MolForge

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Related Compounds

N-[(3-bromo-4-pyridinyl)methyl]-6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 67201828
5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 87663996
5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 159646966
4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 160225241
3-[[5-[(3-bromo-4-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 173529637
3-[4-(5-bromopyridin-2-yl)-piperazin-1-yl]methyl-1H-pyrrolo[2,3-b]pyridine
CID 19614007
N-[(3-bromo-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 57619305
3-[[6-[2-(3-bromo-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442162
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine
CID 58512531
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine
CID 58512592
5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 66646829
(5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-tri(propan-2-yl)silane
CID 69168925

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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane?
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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane (CID 158671596) 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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane.
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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane?
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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.C[Si](C)(C)c1cnc2[nH]ccc2c1.C[Si](C)(C)c1cnc2c(c1)CCN2.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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane?
The InChIKey is RLZIKBJOOJHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2Si.C10H16N2Si.C10H14N2Si.Mn.2O/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;2*1-13(2,3)9-6-8-4-5-11-10(8)12-7-9;;;/h8-9H,6-7H2,1-5H3;6-7H,4-5H2,1-3H3,(H,11,12);4-7H,1-3H3,(H,11,12);;;.
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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane?
(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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane has a molecular weight of 782.91 g/mol, XLogP of 7.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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(trimethyl)silane;dioxomanganese;trimethyl(1H-pyrrolo[2,3-b]pyridin-5-yl)silane is sourced from PubChem (CID 158671596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).