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

C18H23ClN4OSi — CID 58395740

IUPAC4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21
InChIInChI=1S/C18H23ClN4OSi/c1-25(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/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21)
InChIKeyULSXAAFTAVOESQ-UHFFFAOYSA-N
MW374.95 g/mol
LogP4.65
Rot. Bonds6

About 4-[4-chloro-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 (PubChem CID 58395740) has the molecular formula C18H23ClN4OSi and a molecular weight of 374.95 g/mol. Its IUPAC name is 4-[4-chloro-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
PubChem CID58395740
Molecular FormulaC18H23ClN4OSi
Molecular Weight374.95 g/mol
Exact Mass374.13
IUPAC Name4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21
InChIInChI=1S/C18H23ClN4OSi/c1-25(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/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21)
InChIKeyULSXAAFTAVOESQ-UHFFFAOYSA-N
XLogP4.65
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 54.65
H-Bond Donors ≤ 51
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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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?
The IUPAC name of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine (CID 58395740) is 4-[4-chloro-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?
The canonical SMILES for 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21.
What is the InChIKey of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is ULSXAAFTAVOESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OSi/c1-25(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/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21).
What are the key properties of 4-[4-chloro-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 has a molecular weight of 374.95 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 58395740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).