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

C22H35BrN2Si — CID 58512079

IUPAC(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)cnc21
InChIInChI=1S/C22H35BrN2Si/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/h12-18H,7-11H2,1-6H3
InChIKeyTXYGDFRTYMOTAP-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.87
Rot. Bonds5

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

(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 58512079) has the molecular formula C22H35BrN2Si and a molecular weight of 435.53 g/mol. Its IUPAC name is (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID58512079
Molecular FormulaC22H35BrN2Si
Molecular Weight435.53 g/mol
Exact Mass434.18
IUPAC Name(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)cnc21
InChIInChI=1S/C22H35BrN2Si/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/h12-18H,7-11H2,1-6H3
InChIKeyTXYGDFRTYMOTAP-UHFFFAOYSA-N
XLogP7.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.87
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-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 58512079) is (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)cnc21.
What is the InChIKey of (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is TXYGDFRTYMOTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35BrN2Si/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/h12-18H,7-11H2,1-6H3.
What are the key properties of (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 435.53 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 58512079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).