2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

C118H142F3IN12O16Si3 — CID 158799272

About 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 158799272) has the molecular formula C118H142F3IN12O16Si3 and a molecular weight of 2252.66 g/mol. Its IUPAC name is 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
• PubChem CID: 158799272
• Molecular Formula: C118H142F3IN12O16Si3
• Molecular Weight: 2252.66 g/mol
• Exact Mass: 2250.90
• IUPAC Name: 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
• SMILES: C=Cc1cnc2c(ccn2COCC[Si](C)(C)C)c1OC.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1.CCOC(=O)c1ccc(C)c(/C=C/c2cnc3c(ccn3COCC[Si](C)(C)C)c2OC)c1.CCOC(=O)c1ccc(C)c(I)c1.COc1c(/C=C/c2cc(C(=O)O)ccc2C)cnc2[nH]ccc12.COc1c(C=O)cnc2c1ccn2COCC[Si](C)(C)C
• InChI: InChI=1S/C33H35F3N4O2.C26H34N2O4Si.C18H16N2O3.C16H24N2O2Si.C15H22N2O3Si.C10H11IO2/c1-4-39-13-15-40(16-14-39)21-27-8-6-23(17-29(27)33(34,35)36)18-30(41)25-7-5-22(2)24(19-25)9-10-26-20-38-32-28(11-12-37-32)31(26)42-3;1-7-32-26(29)21-9-8-19(2)20(16-21)10-11-22-17-27-25-23(24(22)30-3)12-13-28(25)18-31-14-15-33(4,5)6;1-11-3-4-13(18(21)22)9-12(11)5-6-14-10-20-17-15(7-8-19-17)16(14)23-2;1-6-13-11-17-16-14(15(13)19-2)7-8-18(16)12-20-9-10-21(3,4)5;1-19-14-12(10-18)9-16-15-13(14)5-6-17(15)11-20-7-8-21(2,3)4;1-3-13-10(12)8-5-4-7(2)9(11)6-8/h5-12,17,19-20H,4,13-16,18,21H2,1-3H3,(H,37,38);8-13,16-17H,7,14-15,18H2,1-6H3;3-10H,1-2H3,(H,19,20)(H,21,22);6-8,11H,1,9-10,12H2,2-5H3;5-6,9-10H,7-8,11H2,1-4H3;4-6H,3H2,1-2H3/b10-9+;11-10+;6-5+
• InChIKey: ITGQILYZLJURQB-AEJALZNPSA-N
• XLogP: 26.34
• TPSA: 315.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 39
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2252.66
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?

The IUPAC name of 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 158799272) is 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

What is the SMILES notation for 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?

The canonical SMILES for 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is C=Cc1cnc2c(ccn2COCC[Si](C)(C)C)c1OC.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1.CCOC(=O)c1ccc(C)c(/C=C/c2cnc3c(ccn3COCC[Si](C)(C)C)c2OC)c1.CCOC(=O)c1ccc(C)c(I)c1.COc1c(/C=C/c2cc(C(=O)O)ccc2C)cnc2[nH]ccc12.COc1c(C=O)cnc2c1ccn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?

The InChIKey is ITGQILYZLJURQB-AEJALZNPSA-N. The full InChI is InChI=1S/C33H35F3N4O2.C26H34N2O4Si.C18H16N2O3.C16H24N2O2Si.C15H22N2O3Si.C10H11IO2/c1-4-39-13-15-40(16-14-39)21-27-8-6-23(17-29(27)33(34,35)36)18-30(41)25-7-5-22(2)24(19-25)9-10-26-20-38-32-28(11-12-37-32)31(26)42-3;1-7-32-26(29)21-9-8-19(2)20(16-21)10-11-22-17-27-25-23(24(22)30-3)12-13-28(25)18-31-14-15-33(4,5)6;1-11-3-4-13(18(21)22)9-12(11)5-6-14-10-20-17-15(7-8-19-17)16(14)23-2;1-6-13-11-17-16-14(15(13)19-2)7-8-18(16)12-20-9-10-21(3,4)5;1-19-14-12(10-18)9-16-15-13(14)5-6-17(15)11-20-7-8-21(2,3)4;1-3-13-10(12)8-5-4-7(2)9(11)6-8/h5-12,17,19-20H,4,13-16,18,21H2,1-3H3,(H,37,38);8-13,16-17H,7,14-15,18H2,1-6H3;3-10H,1-2H3,(H,19,20)(H,21,22);6-8,11H,1,9-10,12H2,2-5H3;5-6,9-10H,7-8,11H2,1-4H3;4-6H,3H2,1-2H3/b10-9+;11-10+;6-5+;;;.

What are the key properties of 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?

2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 2252.66 g/mol, XLogP of 26.34, 39 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-ethenyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;ethyl 3-iodo-4-methylbenzoate;ethyl 3-[(E)-2-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]ethenyl]-4-methylbenzoate;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylphenyl]ethanone;3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzoic acid;4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 158799272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).