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

C17H23ClF3N3O2Si — CID 154698271

IUPAC6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(NC3COC3)cc(Cl)nc21
InChIInChI=1S/C17H23ClF3N3O2Si/c1-27(2,3)5-4-25-10-24-7-12(17(19,20)21)15-13(22-11-8-26-9-11)6-14(18)23-16(15)24/h6-7,11H,4-5,8-10H2,1-3H3,(H,22,23)
InChIKeyHMAPZSZEDKUBPY-UHFFFAOYSA-N
MW421.92 g/mol
LogP4.83
Rot. Bonds7

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

6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 154698271) has the molecular formula C17H23ClF3N3O2Si and a molecular weight of 421.92 g/mol. Its IUPAC name is 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID154698271
Molecular FormulaC17H23ClF3N3O2Si
Molecular Weight421.92 g/mol
Exact Mass421.12
IUPAC Name6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(NC3COC3)cc(Cl)nc21
InChIInChI=1S/C17H23ClF3N3O2Si/c1-27(2,3)5-4-25-10-24-7-12(17(19,20)21)15-13(22-11-8-26-9-11)6-14(18)23-16(15)24/h6-7,11H,4-5,8-10H2,1-3H3,(H,22,23)
InChIKeyHMAPZSZEDKUBPY-UHFFFAOYSA-N
XLogP4.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.92
LogP ≤ 54.83
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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Related Compounds

6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698326
2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 146992251
1-[3,5-difluoro-4-[3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-3-[(3-fluorooxetan-3-yl)methyl]urea
CID 142494845
2-[4-[[4-methoxy-5-(trifluoromethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943584
2-chloro-4-(cyclopropylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416386
2-[(2-chloro-4-cyclopentyloxy-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86726423
5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine
CID 169206580
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436040
5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 175983804
N-[(3R,5S)-5-aminooxan-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574172
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 141450366

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 154698271) is 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(NC3COC3)cc(Cl)nc21.
What is the InChIKey of 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is HMAPZSZEDKUBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF3N3O2Si/c1-27(2,3)5-4-25-10-24-7-12(17(19,20)21)15-13(22-11-8-26-9-11)6-14(18)23-16(15)24/h6-7,11H,4-5,8-10H2,1-3H3,(H,22,23).
What are the key properties of 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 421.92 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 154698271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).