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

C17H25ClF3N3OSi — CID 154698231

IUPAC6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)Nc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C17H25ClF3N3OSi/c1-11(2)22-13-8-14(18)23-16-15(13)12(17(19,20)21)9-24(16)10-25-6-7-26(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,22,23)
InChIKeySKIPFLAZJYKFPH-UHFFFAOYSA-N
MW407.94 g/mol
LogP5.84
Rot. Bonds7

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

6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 154698231) has the molecular formula C17H25ClF3N3OSi and a molecular weight of 407.94 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID154698231
Molecular FormulaC17H25ClF3N3OSi
Molecular Weight407.94 g/mol
Exact Mass407.14
IUPAC Name6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)Nc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C17H25ClF3N3OSi/c1-11(2)22-13-8-14(18)23-16-15(13)12(17(19,20)21)9-24(16)10-25-6-7-26(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,22,23)
InChIKeySKIPFLAZJYKFPH-UHFFFAOYSA-N
XLogP5.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 55.84
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-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 154698231) is 6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is CC(C)Nc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C.
What is the InChIKey of 6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is SKIPFLAZJYKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClF3N3OSi/c1-11(2)22-13-8-14(18)23-16-15(13)12(17(19,20)21)9-24(16)10-25-6-7-26(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,22,23).
What are the key properties of 6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 407.94 g/mol, XLogP of 5.84, 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-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 154698231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).