2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C26H38ClN5O3Si2 — CID 163250691

IUPAC2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc2cnn(COCC[Si](C)(C)C)c2cc1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C26H38ClN5O3Si2/c1-33-26-20(14-23-22(29-26)15-28-32(23)18-35-11-13-37(5,6)7)21-16-31(17-34-10-12-36(2,3)4)25-19(21)8-9-24(27)30-25/h8-9,14-16H,10-13,17-18H2,1-7H3
InChIKeyFNSUQVQFHXCUEC-UHFFFAOYSA-N
MW560.25 g/mol
LogP6.73
Rot. Bonds12

About 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163250691) has the molecular formula C26H38ClN5O3Si2 and a molecular weight of 560.25 g/mol. Its IUPAC name is 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163250691
Molecular FormulaC26H38ClN5O3Si2
Molecular Weight560.25 g/mol
Exact Mass559.22
IUPAC Name2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc2cnn(COCC[Si](C)(C)C)c2cc1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C26H38ClN5O3Si2/c1-33-26-20(14-23-22(29-26)15-28-32(23)18-35-11-13-37(5,6)7)21-16-31(17-34-10-12-36(2,3)4)25-19(21)8-9-24(27)30-25/h8-9,14-16H,10-13,17-18H2,1-7H3
InChIKeyFNSUQVQFHXCUEC-UHFFFAOYSA-N
XLogP6.73
TPSA76.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.25
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2-[[6-chloro-3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787
2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251444
2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251302
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
CID 163251023
3-(6-methoxy-1,3-benzothiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
CID 163251080
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 141450366
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 163250691) is 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1nc2cnn(COCC[Si](C)(C)C)c2cc1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12.
What is the InChIKey of 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FNSUQVQFHXCUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38ClN5O3Si2/c1-33-26-20(14-23-22(29-26)15-28-32(23)18-35-11-13-37(5,6)7)21-16-31(17-34-10-12-36(2,3)4)25-19(21)8-9-24(27)30-25/h8-9,14-16H,10-13,17-18H2,1-7H3.
What are the key properties of 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 560.25 g/mol, XLogP of 6.73, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163250691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).