[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C22H33BrN2Si — CID 58512597

IUPAC[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc(Br)cnc21
InChIInChI=1S/C22H33BrN2Si/c1-15(2)26(16(3)4,17(5)6)25-14-21(18-10-8-7-9-11-18)20-12-19(23)13-24-22(20)25/h10,12-17H,7-9,11H2,1-6H3
InChIKeyQGEWODXRZMIFJE-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.78
Rot. Bonds5

About [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 58512597) has the molecular formula C22H33BrN2Si and a molecular weight of 433.51 g/mol. Its IUPAC name is [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
PubChem CID58512597
Molecular FormulaC22H33BrN2Si
Molecular Weight433.51 g/mol
Exact Mass432.16
IUPAC Name[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc(Br)cnc21
InChIInChI=1S/C22H33BrN2Si/c1-15(2)26(16(3)4,17(5)6)25-14-21(18-10-8-7-9-11-18)20-12-19(23)13-24-22(20)25/h10,12-17H,7-9,11H2,1-6H3
InChIKeyQGEWODXRZMIFJE-UHFFFAOYSA-N
XLogP7.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 58512597) is [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc(Br)cnc21.
What is the InChIKey of [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The InChIKey is QGEWODXRZMIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33BrN2Si/c1-15(2)26(16(3)4,17(5)6)25-14-21(18-10-8-7-9-11-18)20-12-19(23)13-24-22(20)25/h10,12-17H,7-9,11H2,1-6H3.
What are the key properties of [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 433.51 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 58512597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).