(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane

C27H45BrN4Si2 — CID 159729094

IUPAC(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.Cc1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24N2Si.C13H21BrN2Si/c1-11-9-12-7-8-16(13(12)15-10-11)17(5,6)14(2,3)4;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h9-10H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3
InChIKeyNAZWWTJDDSMCKB-UHFFFAOYSA-N
MW561.76 g/mol
LogP7.97
Rot. Bonds2

About (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 159729094) has the molecular formula C27H45BrN4Si2 and a molecular weight of 561.76 g/mol. Its IUPAC name is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID159729094
Molecular FormulaC27H45BrN4Si2
Molecular Weight561.76 g/mol
Exact Mass560.24
IUPAC Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.Cc1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24N2Si.C13H21BrN2Si/c1-11-9-12-7-8-16(13(12)15-10-11)17(5,6)14(2,3)4;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h9-10H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3
InChIKeyNAZWWTJDDSMCKB-UHFFFAOYSA-N
XLogP7.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.76
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane with MolForge

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Related Compounds

4-Bromo-1-(triisopropylsilyl)-7-azaindole
CID 11473655
5-Bromo-1-butyl-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridine
CID 145984915
5-Bromo-3-iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
CID 24229231
5-bromo-1-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridine
CID 58730933
1H-Pyrrolo[2,3-B]pyridine, 3-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-
CID 21669151
5-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 24229223
1H-Pyrrolo[2,3-B]pyridine, 5-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-
CID 49759018
3-bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 58086848
1-(5-Bromo-3-methyl-2-pyridinyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
CID 57109169
1H-Pyrrolo[2,3-B]pyridine-3-methanamine, 4-bromo-N,N-dimethyl-1-[tris(1-methylethyl)silyl]-
CID 49758887
1-(tert-Butyl-dimethyl-silanyl)-5-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 57597757
3-Bromo-1-(tert-butyl-dimethyl-silanyl)-5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridine
CID 57598078

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane (CID 159729094) is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.Cc1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is NAZWWTJDDSMCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2Si.C13H21BrN2Si/c1-11-9-12-7-8-16(13(12)15-10-11)17(5,6)14(2,3)4;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h9-10H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3.
What are the key properties of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 561.76 g/mol, XLogP of 7.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 159729094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).