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

C18H28ClN3O2Si — CID 154698326

IUPAC6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1ccc2c(NC3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C18H28ClN3O2Si/c1-25(2,3)11-10-24-13-22-7-4-15-16(12-17(19)21-18(15)22)20-14-5-8-23-9-6-14/h4,7,12,14H,5-6,8-11,13H2,1-3H3,(H,20,21)
InChIKeyJACAPIOPRZDYHX-UHFFFAOYSA-N
MW381.98 g/mol
LogP4.59
Rot. Bonds7

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

6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 154698326) has the molecular formula C18H28ClN3O2Si and a molecular weight of 381.98 g/mol. Its IUPAC name is 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID154698326
Molecular FormulaC18H28ClN3O2Si
Molecular Weight381.98 g/mol
Exact Mass381.16
IUPAC Name6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1ccc2c(NC3CCOCC3)cc(Cl)nc21
InChIInChI=1S/C18H28ClN3O2Si/c1-25(2,3)11-10-24-13-22-7-4-15-16(12-17(19)21-18(15)22)20-14-5-8-23-9-6-14/h4,7,12,14H,5-6,8-11,13H2,1-3H3,(H,20,21)
InChIKeyJACAPIOPRZDYHX-UHFFFAOYSA-N
XLogP4.59
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.98
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 154698326) is 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is C[Si](C)(C)CCOCn1ccc2c(NC3CCOCC3)cc(Cl)nc21.
What is the InChIKey of 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is JACAPIOPRZDYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2Si/c1-25(2,3)11-10-24-13-22-7-4-15-16(12-17(19)21-18(15)22)20-14-5-8-23-9-6-14/h4,7,12,14H,5-6,8-11,13H2,1-3H3,(H,20,21).
What are the key properties of 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 381.98 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 154698326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).