4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

C14H20ClN3O2Si — CID 71258387

IUPAC4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(C(N)=O)cnc21
InChIInChI=1S/C14H20ClN3O2Si/c1-21(2,3)7-6-20-9-18-5-4-10-12(15)11(13(16)19)8-17-14(10)18/h4-5,8H,6-7,9H2,1-3H3,(H2,16,19)
InChIKeyPFUJUSBODRCXBD-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.10
Rot. Bonds6

About 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 71258387) has the molecular formula C14H20ClN3O2Si and a molecular weight of 325.87 g/mol. Its IUPAC name is 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID71258387
Molecular FormulaC14H20ClN3O2Si
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(C(N)=O)cnc21
InChIInChI=1S/C14H20ClN3O2Si/c1-21(2,3)7-6-20-9-18-5-4-10-12(15)11(13(16)19)8-17-14(10)18/h4-5,8H,6-7,9H2,1-3H3,(H2,16,19)
InChIKeyPFUJUSBODRCXBD-UHFFFAOYSA-N
XLogP3.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one
CID 71258460
4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
CID 59292010
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 118593207
5-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid;ethyl 5-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylate
CID 159006031
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
CID 141450642
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 139945913
(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 155711450
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162477897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide (CID 71258387) is 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide is C[Si](C)(C)CCOCn1ccc2c(Cl)c(C(N)=O)cnc21.
What is the InChIKey of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is PFUJUSBODRCXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2Si/c1-21(2,3)7-6-20-9-18-5-4-10-12(15)11(13(16)19)8-17-14(10)18/h4-5,8H,6-7,9H2,1-3H3,(H2,16,19).
What are the key properties of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 325.87 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 71258387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).