(3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone

C26H26Cl2N2O3Si — CID 170669754

IUPAC(3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESC[Si](C)(C)CCOCn1cc(C(=O)c2ccc(Oc3ccccc3)c(Cl)c2)c2c(Cl)ccnc21
InChIInChI=1S/C26H26Cl2N2O3Si/c1-34(2,3)14-13-32-17-30-16-20(24-21(27)11-12-29-26(24)30)25(31)18-9-10-23(22(28)15-18)33-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyRIGAVEVUPQDMFD-UHFFFAOYSA-N
MW513.50 g/mol
LogP7.68
Rot. Bonds9

About (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone

(3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 170669754) has the molecular formula C26H26Cl2N2O3Si and a molecular weight of 513.50 g/mol. Its IUPAC name is (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID170669754
Molecular FormulaC26H26Cl2N2O3Si
Molecular Weight513.50 g/mol
Exact Mass512.11
IUPAC Name(3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESC[Si](C)(C)CCOCn1cc(C(=O)c2ccc(Oc3ccccc3)c(Cl)c2)c2c(Cl)ccnc21
InChIInChI=1S/C26H26Cl2N2O3Si/c1-34(2,3)14-13-32-17-30-16-20(24-21(27)11-12-29-26(24)30)25(31)18-9-10-23(22(28)15-18)33-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyRIGAVEVUPQDMFD-UHFFFAOYSA-N
XLogP7.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.50
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 170669742
phenyl 2-[4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]acetate
CID 167614825
phenyl N-[3,5-difluoro-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate
CID 142494673
1-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-3-(6-methoxypyridazin-3-yl)urea
CID 162213145
tert-butyl N-[4-[3-bromo-5-cyano-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3-chlorophenyl]carbamate
CID 156845932
phenyl N-[4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]sulfanyl-3,5-difluorophenyl]carbamate
CID 142494818
trimethyl-[2-[[4-(oxolan-3-yloxy)-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 146169583
2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 152586892
1-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 142494704
tert-butyl 8-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-7-sulfanylideneoctanoate
CID 167671647
N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide
CID 175998129
1-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5,6-dihydroxyhexane-2-thione
CID 167651364

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 170669754) is (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone is C[Si](C)(C)CCOCn1cc(C(=O)c2ccc(Oc3ccccc3)c(Cl)c2)c2c(Cl)ccnc21.
What is the InChIKey of (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is RIGAVEVUPQDMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3Si/c1-34(2,3)14-13-32-17-30-16-20(24-21(27)11-12-29-26(24)30)25(31)18-9-10-23(22(28)15-18)33-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3.
What are the key properties of (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?
(3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 513.50 g/mol, XLogP of 7.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 170669754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).