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

C18H27ClF3N3O2Si — CID 154698232

IUPAC6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCOC[C@@H](C)Nc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C18H27ClF3N3O2Si/c1-12(10-26-2)23-14-8-15(19)24-17-16(14)13(18(20,21)22)9-25(17)11-27-6-7-28(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,23,24)/t12-/m1/s1
InChIKeyVZTYZGJHFWTMNO-GFCCVEGCSA-N
MW437.97 g/mol
LogP5.47
Rot. Bonds9

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

6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 154698232) has the molecular formula C18H27ClF3N3O2Si and a molecular weight of 437.97 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID154698232
Molecular FormulaC18H27ClF3N3O2Si
Molecular Weight437.97 g/mol
Exact Mass437.15
IUPAC Name6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCOC[C@@H](C)Nc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C18H27ClF3N3O2Si/c1-12(10-26-2)23-14-8-15(19)24-17-16(14)13(18(20,21)22)9-25(17)11-27-6-7-28(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,23,24)/t12-/m1/s1
InChIKeyVZTYZGJHFWTMNO-GFCCVEGCSA-N
XLogP5.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 55.47
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

7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 2151141
2-[[4-Chloro-2-(6-morpholin-4-ylpyridin-3-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 71271911
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
7-(3-Chloro-4-methylphenyl)-N-(1-methoxypropan-2-YL)-5-phenyl-7H-pyrrolo[2,3-D]pyrimidin-4-amine
CID 4071497
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-3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 58396065
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-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 154698232) is 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is COC[C@@H](C)Nc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C.
What is the InChIKey of 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is VZTYZGJHFWTMNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H27ClF3N3O2Si/c1-12(10-26-2)23-14-8-15(19)24-17-16(14)13(18(20,21)22)9-25(17)11-27-6-7-28(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,23,24)/t12-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 437.97 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 154698232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).