6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C17H26ClN3O2Si — CID 141450366

IUPAC6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C17H26ClN3O2Si/c1-12(2)19-17(22)14-10-21(11-23-8-9-24(3,4)5)16-13(14)6-7-15(18)20-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,19,22)
InChIKeyYCOWXVJWROUDIK-UHFFFAOYSA-N
MW367.95 g/mol
LogP4.14
Rot. Bonds7

About 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 141450366) has the molecular formula C17H26ClN3O2Si and a molecular weight of 367.95 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID141450366
Molecular FormulaC17H26ClN3O2Si
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Name6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C17H26ClN3O2Si/c1-12(2)19-17(22)14-10-21(11-23-8-9-24(3,4)5)16-13(14)6-7-15(18)20-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,19,22)
InChIKeyYCOWXVJWROUDIK-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 54.14
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522279
2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280605
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86677968
2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280442
2-bromo-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 89424916
methyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 162383246
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286068
2-cyclopropyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 165366553
2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67008846
2-[[6-chloro-3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 141450366) is 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YCOWXVJWROUDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2Si/c1-12(2)19-17(22)14-10-21(11-23-8-9-24(3,4)5)16-13(14)6-7-15(18)20-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,19,22).
What are the key properties of 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 367.95 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 141450366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).