6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C42H55Cl5F6IN7O3Si3 — CID 163425151

IUPAC6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCNc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Cl)cc(Cl)nc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)cc(Cl)nc21
InChIInChI=1S/C15H21ClF3N3OSi.C14H17Cl2F3N2OSi.C13H17Cl2IN2OSi/c1-20-11-7-12(16)21-14-13(11)10(15(17,18)19)8-22(14)9-23-5-6-24(2,3)4;1-23(2,3)5-4-22-8-21-7-9(14(17,18)19)12-10(15)6-11(16)20-13(12)21;1-20(2,3)5-4-19-8-18-7-10(16)12-9(14)6-11(15)17-13(12)18/h7-8H,5-6,9H2,1-4H3,(H,20,21);6-7H,4-5,8H2,1-3H3;6-7H,4-5,8H2,1-3H3
InChIKeyALVOQYIWLOGANO-UHFFFAOYSA-N
MW1208.36 g/mol
LogP16.00
Rot. Bonds16

About 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163425151) has the molecular formula C42H55Cl5F6IN7O3Si3 and a molecular weight of 1208.36 g/mol. Its IUPAC name is 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163425151
Molecular FormulaC42H55Cl5F6IN7O3Si3
Molecular Weight1208.36 g/mol
Exact Mass1205.11
IUPAC Name6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCNc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Cl)cc(Cl)nc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)cc(Cl)nc21
InChIInChI=1S/C15H21ClF3N3OSi.C14H17Cl2F3N2OSi.C13H17Cl2IN2OSi/c1-20-11-7-12(16)21-14-13(11)10(15(17,18)19)8-22(14)9-23-5-6-24(2,3)4;1-23(2,3)5-4-22-8-21-7-9(14(17,18)19)12-10(15)6-11(16)20-13(12)21;1-20(2,3)5-4-19-8-18-7-10(16)12-9(14)6-11(15)17-13(12)18/h7-8H,5-6,9H2,1-4H3,(H,20,21);6-7H,4-5,8H2,1-3H3;6-7H,4-5,8H2,1-3H3
InChIKeyALVOQYIWLOGANO-UHFFFAOYSA-N
XLogP16.00
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001208.36
LogP ≤ 516.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 140891188
1-[[4-[(2-Chloro-5-fluoropyridin-4-yl)amino]-2-[6-(difluoromethyl)pyridin-2-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol
CID 140891198
6-chloro-N-ethyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 142436014
6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 142436030
6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 142436070
N-[6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 154648529
6-chloro-N-(2-methylpropyl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698214
N-butyl-6-chloro-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698228
6-chloro-N-cyclohexyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698229
6-chloro-N-propan-2-yl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698231
6-chloro-N-[(2R)-1-methoxypropan-2-yl]-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698232
6-chloro-N-cyclopentyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698238

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 163425151) is 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CNc1cc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Cl)cc(Cl)nc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)cc(Cl)nc21.
What is the InChIKey of 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ALVOQYIWLOGANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N3OSi.C14H17Cl2F3N2OSi.C13H17Cl2IN2OSi/c1-20-11-7-12(16)21-14-13(11)10(15(17,18)19)8-22(14)9-23-5-6-24(2,3)4;1-23(2,3)5-4-22-8-21-7-9(14(17,18)19)12-10(15)6-11(16)20-13(12)21;1-20(2,3)5-4-19-8-18-7-10(16)12-9(14)6-11(15)17-13(12)18/h7-8H,5-6,9H2,1-4H3,(H,20,21);6-7H,4-5,8H2,1-3H3;6-7H,4-5,8H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1208.36 g/mol, XLogP of 16.00, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163425151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).