2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C29H32BrF2N3OSi — CID 172797509

IUPAC2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2cc(Br)c(C(Cc3cc(F)cc(F)c3)N3Cc4ccccc4C3)nc21
InChIInChI=1S/C29H32BrF2N3OSi/c1-37(2,3)11-10-36-19-34-9-8-21-15-26(30)28(33-29(21)34)27(14-20-12-24(31)16-25(32)13-20)35-17-22-6-4-5-7-23(22)18-35/h4-9,12-13,15-16,27H,10-11,14,17-19H2,1-3H3
InChIKeyQKGZTBZAPDPSHN-UHFFFAOYSA-N
MW584.58 g/mol
LogP7.69
Rot. Bonds9

About 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 172797509) has the molecular formula C29H32BrF2N3OSi and a molecular weight of 584.58 g/mol. Its IUPAC name is 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID172797509
Molecular FormulaC29H32BrF2N3OSi
Molecular Weight584.58 g/mol
Exact Mass583.15
IUPAC Name2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2cc(Br)c(C(Cc3cc(F)cc(F)c3)N3Cc4ccccc4C3)nc21
InChIInChI=1S/C29H32BrF2N3OSi/c1-37(2,3)11-10-36-19-34-9-8-21-15-26(30)28(33-29(21)34)27(14-20-12-24(31)16-25(32)13-20)35-17-22-6-4-5-7-23(22)18-35/h4-9,12-13,15-16,27H,10-11,14,17-19H2,1-3H3
InChIKeyQKGZTBZAPDPSHN-UHFFFAOYSA-N
XLogP7.69
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.58
LogP ≤ 57.69
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

6-Bromo-2-(4-fluorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51360603
2-(3-Bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51359820
6-Bromo-2-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 51360080
6-Bromo-2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51360601
6-Bromo-2-(p-tolyl)-3-[2-(trifluoromethyl)benzyl]imidazo[1,2-a]pyridine
CID 51360602
6-Bromo-8-methyl-2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 53299410
6-Bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51360722
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
6-Bromo-2-(4-fluorophenyl)-8-methyl-3-[2-(trifluoromethyl)benzyl]imidazo[1,2-a]pyridine
CID 51359434
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 172797509) is 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2cc(Br)c(C(Cc3cc(F)cc(F)c3)N3Cc4ccccc4C3)nc21.
What is the InChIKey of 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QKGZTBZAPDPSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32BrF2N3OSi/c1-37(2,3)11-10-36-19-34-9-8-21-15-26(30)28(33-29(21)34)27(14-20-12-24(31)16-25(32)13-20)35-17-22-6-4-5-7-23(22)18-35/h4-9,12-13,15-16,27H,10-11,14,17-19H2,1-3H3.
What are the key properties of 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 584.58 g/mol, XLogP of 7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 172797509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).