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

C16H23ClF3N3OSi — CID 142436014

IUPAC6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCCNc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H23ClF3N3OSi/c1-5-21-12-8-13(17)22-15-14(12)11(16(18,19)20)9-23(15)10-24-6-7-25(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyACUIBCQQKHSGRK-UHFFFAOYSA-N
MW393.91 g/mol
LogP5.45
Rot. Bonds7

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

6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 142436014) has the molecular formula C16H23ClF3N3OSi and a molecular weight of 393.91 g/mol. Its IUPAC name is 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID142436014
Molecular FormulaC16H23ClF3N3OSi
Molecular Weight393.91 g/mol
Exact Mass393.13
IUPAC Name6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCCNc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H23ClF3N3OSi/c1-5-21-12-8-13(17)22-15-14(12)11(16(18,19)20)9-23(15)10-24-6-7-25(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyACUIBCQQKHSGRK-UHFFFAOYSA-N
XLogP5.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 55.45
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'}

Analyze 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 2151141
4-chloro-2-iodo-5-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 71272036
4-Chloro-5-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-7-azaindole
CID 71277489
4-Chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo(2,3-b)pyridine
CID 11673589
6-Chloro-4-nitro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 46941608
4-Chloro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58078702
4-chloro-3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 58396065
4-Chloro-5-iodo-1-[[2-(trimethylsilyl)ethoxy]methyl]-7-azaindole
CID 71277629
4-chloro-3-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]-methyl}-1H-pyrrolo[2,3-b]pyridine
CID 59304981
2-Fluoro-N-(1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 59304994
2-Fluoro-N1-(3-methyl-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 59305012
N-{4-[(3-Chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-fluorophenyl}-2,2,2-trifluoroacetamide
CID 59305018

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 142436014) is 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is CCNc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C.
What is the InChIKey of 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is ACUIBCQQKHSGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClF3N3OSi/c1-5-21-12-8-13(17)22-15-14(12)11(16(18,19)20)9-23(15)10-24-6-7-25(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,21,22).
What are the key properties of 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 393.91 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 142436014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).