6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

C16H25Cl2N3OSi — CID 162354492

IUPAC6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1c(CCCCl)cc2c(N)cc(Cl)nc21
InChIInChI=1S/C16H25Cl2N3OSi/c1-23(2,3)8-7-22-11-21-12(5-4-6-17)9-13-14(19)10-15(18)20-16(13)21/h9-10H,4-8,11H2,1-3H3,(H2,19,20)
InChIKeyQOIOXQDTZZKPLF-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.76
Rot. Bonds8

About 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 162354492) has the molecular formula C16H25Cl2N3OSi and a molecular weight of 374.39 g/mol. Its IUPAC name is 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID162354492
Molecular FormulaC16H25Cl2N3OSi
Molecular Weight374.39 g/mol
Exact Mass373.11
IUPAC Name6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1c(CCCCl)cc2c(N)cc(Cl)nc21
InChIInChI=1S/C16H25Cl2N3OSi/c1-23(2,3)8-7-22-11-21-12(5-4-6-17)9-13-14(19)10-15(18)20-16(13)21/h9-10H,4-8,11H2,1-3H3,(H2,19,20)
InChIKeyQOIOXQDTZZKPLF-UHFFFAOYSA-N
XLogP4.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 153351965
[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol
CID 174096302
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine
CID 171630055
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine
CID 169206863
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 162354492) is 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is C[Si](C)(C)CCOCn1c(CCCCl)cc2c(N)cc(Cl)nc21.
What is the InChIKey of 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is QOIOXQDTZZKPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3OSi/c1-23(2,3)8-7-22-11-21-12(5-4-6-17)9-13-14(19)10-15(18)20-16(13)21/h9-10H,4-8,11H2,1-3H3,(H2,19,20).
What are the key properties of 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 374.39 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 162354492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).