6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine

C20H26BrClN4O2Si — CID 178083288

IUPAC6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(CNc2c(Br)c(Cl)nc3c2ncn3COCC[Si](C)(C)C)cc1
InChIInChI=1S/C20H26BrClN4O2Si/c1-27-15-7-5-14(6-8-15)11-23-17-16(21)19(22)25-20-18(17)24-12-26(20)13-28-9-10-29(2,3)4/h5-8,12H,9-11,13H2,1-4H3,(H,23,25)
InChIKeyYZNRYUGGHDPESV-UHFFFAOYSA-N
MW497.90 g/mol
LogP5.78
Rot. Bonds9

About 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine

6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 178083288) has the molecular formula C20H26BrClN4O2Si and a molecular weight of 497.90 g/mol. Its IUPAC name is 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine
PubChem CID178083288
Molecular FormulaC20H26BrClN4O2Si
Molecular Weight497.90 g/mol
Exact Mass496.07
IUPAC Name6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(CNc2c(Br)c(Cl)nc3c2ncn3COCC[Si](C)(C)C)cc1
InChIInChI=1S/C20H26BrClN4O2Si/c1-27-15-7-5-14(6-8-15)11-23-17-16(21)19(22)25-20-18(17)24-12-26(20)13-28-9-10-29(2,3)4/h5-8,12H,9-11,13H2,1-4H3,(H,23,25)
InChIKeyYZNRYUGGHDPESV-UHFFFAOYSA-N
XLogP5.78
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine
CID 166683942
2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 59835019
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-dimethylphosphoryl-N,9-bis[(4-methoxyphenyl)methyl]purin-6-amine
CID 170722633
4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
CID 86725368
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
2-diethylphosphoryl-N,9-bis[(4-methoxyphenyl)methyl]purin-6-amine
CID 170722651
4-[[2-chloro-6-[(4-methoxyphenyl)methylamino]purin-9-yl]methyl]benzamide
CID 121390711
2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 86614102
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
6-chloro-N-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine
CID 87838666

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine (CID 178083288) is 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine is COc1ccc(CNc2c(Br)c(Cl)nc3c2ncn3COCC[Si](C)(C)C)cc1.
What is the InChIKey of 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is YZNRYUGGHDPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrClN4O2Si/c1-27-15-7-5-14(6-8-15)11-23-17-16(21)19(22)25-20-18(17)24-12-26(20)13-28-9-10-29(2,3)4/h5-8,12H,9-11,13H2,1-4H3,(H,23,25).
What are the key properties of 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine?
6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 497.90 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 178083288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).