4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine

C48H56BClF2N8O4Si2 — CID 159149887

IUPAC4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccc(F)cc3)ccnc21.C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21.OB(O)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4OSi.C18H23ClN4OSi.C6H6BFO2/c1-31(2,3)13-12-30-16-29-22(18-8-10-27-23(26)14-18)15-21-20(9-11-28-24(21)29)17-4-6-19(25)7-5-17;1-25(2,3)9-8-24-12-23-16(13-4-6-21-17(20)10-13)11-14-15(19)5-7-22-18(14)23;8-6-3-1-5(2-4-6)7(9)10/h4-11,14-15H,12-13,16H2,1-3H3,(H2,26,27);4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21);1-4,9-10H
InChIKeyKJDJHVYQUUSFRV-UHFFFAOYSA-N
MW949.46 g/mol
LogP9.95
Rot. Bonds14

About 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine

4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 159149887) has the molecular formula C48H56BClF2N8O4Si2 and a molecular weight of 949.46 g/mol. Its IUPAC name is 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
PubChem CID159149887
Molecular FormulaC48H56BClF2N8O4Si2
Molecular Weight949.46 g/mol
Exact Mass948.37
IUPAC Name4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccc(F)cc3)ccnc21.C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21.OB(O)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4OSi.C18H23ClN4OSi.C6H6BFO2/c1-31(2,3)13-12-30-16-29-22(18-8-10-27-23(26)14-18)15-21-20(9-11-28-24(21)29)17-4-6-19(25)7-5-17;1-25(2,3)9-8-24-12-23-16(13-4-6-21-17(20)10-13)11-14-15(19)5-7-22-18(14)23;8-6-3-1-5(2-4-6)7(9)10/h4-11,14-15H,12-13,16H2,1-3H3,(H2,26,27);4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21);1-4,9-10H
InChIKeyKJDJHVYQUUSFRV-UHFFFAOYSA-N
XLogP9.95
TPSA172.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.46
LogP ≤ 59.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

2-[[4-Chloro-2-(6-morpholin-4-ylpyridin-3-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 71271911
4-[4-(4-Fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
CID 58395833
2-[[4-Chloro-2-[5-(trifluoromethyl)pyridin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 142533708
2-[[4-Chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium
CID 142533713
2-[[4-Chloro-2-[6-(trifluoromethyl)pyridin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 142533718
2-[[4-Chloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-[(4-fluorophenyl)methyl]piperazine;2-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-oxido-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-7-ium-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157448300
2-[[4-Chloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[4-(4-methylpiperazin-1-yl)phenyl]boronic acid;trimethyl-[2-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxido-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-7-ium-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 160054595
2-[[4-Chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;methanethiol;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
CID 161966284
2-[[4-Chloro-3-(5-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 165156359
2-[[4-Chloro-3-(3-fluoro-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 165156602
2-[[4-Chloro-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 168111488
2-[[4-Chloro-2-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 168111491

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine (CID 159149887) is 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(-c3ccc(F)cc3)ccnc21.C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21.OB(O)c1ccc(F)cc1.
What is the InChIKey of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is KJDJHVYQUUSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OSi.C18H23ClN4OSi.C6H6BFO2/c1-31(2,3)13-12-30-16-29-22(18-8-10-27-23(26)14-18)15-21-20(9-11-28-24(21)29)17-4-6-19(25)7-5-17;1-25(2,3)9-8-24-12-23-16(13-4-6-21-17(20)10-13)11-14-15(19)5-7-22-18(14)23;8-6-3-1-5(2-4-6)7(9)10/h4-11,14-15H,12-13,16H2,1-3H3,(H2,26,27);4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21);1-4,9-10H.
What are the key properties of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 949.46 g/mol, XLogP of 9.95, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 159149887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).