1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C31H48ClFN2OSiSn — CID 142702740

IUPAC1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc2c(c(-c3ccc(F)cc3)cn2COC(C)[Si](C)(C)C)c1Cl
InChIInChI=1S/C19H21ClFN2OSi.3C4H9.Sn/c1-13(25(2,3)4)24-12-23-11-16(14-5-7-15(21)8-6-14)18-17(20)9-10-22-19(18)23;3*1-3-4-2;/h5-8,10-11,13H,12H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyAVXVHHVCVJVOHJ-UHFFFAOYSA-N
MW665.99 g/mol
LogP9.79
Rot. Bonds15

About 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142702740) has the molecular formula C31H48ClFN2OSiSn and a molecular weight of 665.99 g/mol. Its IUPAC name is 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID142702740
Molecular FormulaC31H48ClFN2OSiSn
Molecular Weight665.99 g/mol
Exact Mass666.22
IUPAC Name1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc2c(c(-c3ccc(F)cc3)cn2COC(C)[Si](C)(C)C)c1Cl
InChIInChI=1S/C19H21ClFN2OSi.3C4H9.Sn/c1-13(25(2,3)4)24-12-23-11-16(14-5-7-15(21)8-6-14)18-17(20)9-10-22-19(18)23;3*1-3-4-2;/h5-8,10-11,13H,12H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyAVXVHHVCVJVOHJ-UHFFFAOYSA-N
XLogP9.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.99
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 142702740) is 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CCCC[Sn](CCCC)(CCCC)c1cnc2c(c(-c3ccc(F)cc3)cn2COC(C)[Si](C)(C)C)c1Cl.
What is the InChIKey of 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AVXVHHVCVJVOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN2OSi.3C4H9.Sn/c1-13(25(2,3)4)24-12-23-11-16(14-5-7-15(21)8-6-14)18-17(20)9-10-22-19(18)23;3*1-3-4-2;/h5-8,10-11,13H,12H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 665.99 g/mol, XLogP of 9.79, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142702740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).