[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C73H104BrN7Si3 — CID 123864835

IUPAC[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(CN(C)C)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(CCc3ccccc3)cc2)c2cccnc21
InChIInChI=1S/C31H40N2Si.C23H31BrN2Si.C19H33N3Si/c1-23(2)34(24(3)4,25(5)6)33-22-29(30-13-10-20-32-31(30)33)21-28-18-16-27(17-19-28)15-14-26-11-8-7-9-12-26;1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19;1-14(2)23(15(3)4,16(5)6)22-13-17(12-21(7)8)18-10-9-11-20-19(18)22/h7-13,16-20,22-25H,14-15,21H2,1-6H3;7-13,15-18H,14H2,1-6H3;9-11,13-16H,12H2,1-8H3
InChIKeyKBSNGJKKZRUJMP-UHFFFAOYSA-N
MW1243.85 g/mol
LogP20.97
Rot. Bonds21

About [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 123864835) has the molecular formula C73H104BrN7Si3 and a molecular weight of 1243.85 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
PubChem CID123864835
Molecular FormulaC73H104BrN7Si3
Molecular Weight1243.85 g/mol
Exact Mass1241.68
IUPAC Name[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(CN(C)C)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(CCc3ccccc3)cc2)c2cccnc21
InChIInChI=1S/C31H40N2Si.C23H31BrN2Si.C19H33N3Si/c1-23(2)34(24(3)4,25(5)6)33-22-29(30-13-10-20-32-31(30)33)21-28-18-16-27(17-19-28)15-14-26-11-8-7-9-12-26;1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19;1-14(2)23(15(3)4,16(5)6)22-13-17(12-21(7)8)18-10-9-11-20-19(18)22/h7-13,16-20,22-25H,14-15,21H2,1-6H3;7-13,15-18H,14H2,1-6H3;9-11,13-16H,12H2,1-8H3
InChIKeyKBSNGJKKZRUJMP-UHFFFAOYSA-N
XLogP20.97
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.85
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane with MolForge

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Related Compounds

[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]-[(E)-2-[4-[(E)-2-[[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]-dimethylsilyl]ethenyl]phenyl]ethenyl]-dimethylsilane
CID 12138279
1-[4-[1,1-Dimethyl-3,4-diphenyl-5-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)silol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
CID 101737031
4-[1-[1-(4-Bromo-3-fluorophenyl)ethyl]pyrrolo[2,3-b]pyridin-5-yl]-7-ethyl-3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-5-methylidene-2-(2-methylpropyl)pyrrolo[3,4-b]pyridin-6-ium
CID 177220965
3-Bromo-1-(tert-butyl-dimethyl-silanyl)-5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridine
CID 57598078
3-(4-bromobenzyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 58086537
3-(6-Bromo-pyridin-3-ylmethyl)-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
CID 58442116
(3-Tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane
CID 88543382
8-[4-[[4-[[4-(10-Methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143035764
4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;bis(tert-butyl(dimethyl)silane);bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);molecular bromine
CID 157077794
acetonitrile;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl)silane;carbanide;dichloropalladium;1-fluoro-2-iodobenzene;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;formonitrile
CID 157344880
4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;methane
CID 157648749
[3-Bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;tert-butyl-[5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-dimethylsilane;molecular bromine
CID 157704314

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 123864835) is [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(CN(C)C)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Br)cc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(CCc3ccccc3)cc2)c2cccnc21.
What is the InChIKey of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The InChIKey is KBSNGJKKZRUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2Si.C23H31BrN2Si.C19H33N3Si/c1-23(2)34(24(3)4,25(5)6)33-22-29(30-13-10-20-32-31(30)33)21-28-18-16-27(17-19-28)15-14-26-11-8-7-9-12-26;1-16(2)27(17(3)4,18(5)6)26-15-20(22-8-7-13-25-23(22)26)14-19-9-11-21(24)12-10-19;1-14(2)23(15(3)4,16(5)6)22-13-17(12-21(7)8)18-10-9-11-20-19(18)22/h7-13,16-20,22-25H,14-15,21H2,1-6H3;7-13,15-18H,14H2,1-6H3;9-11,13-16H,12H2,1-8H3.
What are the key properties of [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
[3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 1243.85 g/mol, XLogP of 20.97, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[[4-(2-phenylethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 123864835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).