2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C21H24BrN3OSi — CID 58395902

IUPAC2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(Br)ccnc21
InChIInChI=1S/C21H24BrN3OSi/c1-27(2,3)9-8-26-14-25-20(11-18-19(22)6-7-24-21(18)25)15-4-5-16-12-23-13-17(16)10-15/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyHVVSBQWTBWORGK-UHFFFAOYSA-N
MW442.43 g/mol
LogP5.71
Rot. Bonds6

About 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58395902) has the molecular formula C21H24BrN3OSi and a molecular weight of 442.43 g/mol. Its IUPAC name is 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID58395902
Molecular FormulaC21H24BrN3OSi
Molecular Weight442.43 g/mol
Exact Mass441.09
IUPAC Name2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(Br)ccnc21
InChIInChI=1S/C21H24BrN3OSi/c1-27(2,3)9-8-26-14-25-20(11-18-19(22)6-7-24-21(18)25)15-4-5-16-12-23-13-17(16)10-15/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyHVVSBQWTBWORGK-UHFFFAOYSA-N
XLogP5.71
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Bromo-4-isopropylphenyl)-4,6-dimethyl-7-azaindole
CID 10497535
1-(2-Bromo-4-isopropylphenyl)-6-methyl-7-azaindole
CID 10782556
6-Bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine
CID 1412848
4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 57477561
(E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine
CID 71625477
3-bromo-1-(tert-butyldimethylsilyl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57681126
2-[(4-Fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169455
2-[(3-Bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169699
Trimethyl-[2-[(2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 69797263
2-[[2-[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969436
2-[[2-(5-Bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969438
5-bromo-4-chloro-3-(2-fluoro-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo-[2,3-b]pyridine
CID 57537459

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 58395902) is 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(Br)ccnc21.
What is the InChIKey of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HVVSBQWTBWORGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3OSi/c1-27(2,3)9-8-26-14-25-20(11-18-19(22)6-7-24-21(18)25)15-4-5-16-12-23-13-17(16)10-15/h4-7,10-12H,8-9,13-14H2,1-3H3.
What are the key properties of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 442.43 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58395902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).