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

C19H27ClF3N3OSi — CID 154698238

IUPAC6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(NC3CCCC3)cc(Cl)nc21
InChIInChI=1S/C19H27ClF3N3OSi/c1-28(2,3)9-8-27-12-26-11-14(19(21,22)23)17-15(10-16(20)25-18(17)26)24-13-6-4-5-7-13/h10-11,13H,4-9,12H2,1-3H3,(H,24,25)
InChIKeyTXVCFCFPOXEHJC-UHFFFAOYSA-N
MW433.98 g/mol
LogP6.38
Rot. Bonds7

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

6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 154698238) has the molecular formula C19H27ClF3N3OSi and a molecular weight of 433.98 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID154698238
Molecular FormulaC19H27ClF3N3OSi
Molecular Weight433.98 g/mol
Exact Mass433.16
IUPAC Name6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(NC3CCCC3)cc(Cl)nc21
InChIInChI=1S/C19H27ClF3N3OSi/c1-28(2,3)9-8-27-12-26-11-14(19(21,22)23)17-15(10-16(20)25-18(17)26)24-13-6-4-5-7-13/h10-11,13H,4-9,12H2,1-3H3,(H,24,25)
InChIKeyTXVCFCFPOXEHJC-UHFFFAOYSA-N
XLogP6.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.98
LogP ≤ 56.38
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 154698238) is 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(NC3CCCC3)cc(Cl)nc21.
What is the InChIKey of 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is TXVCFCFPOXEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClF3N3OSi/c1-28(2,3)9-8-27-12-26-11-14(19(21,22)23)17-15(10-16(20)25-18(17)26)24-13-6-4-5-7-13/h10-11,13H,4-9,12H2,1-3H3,(H,24,25).
What are the key properties of 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 433.98 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 154698238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).