4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

C34H41IN6O3Si2 — CID 159682716

IUPAC4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(C#N)c2c(-c3cccc(O)c3)ccnc21.C[Si](C)(C)CCOCn1cc(C#N)c2c(I)ccnc21
InChIInChI=1S/C20H23N3O2Si.C14H18IN3OSi/c1-26(2,3)10-9-25-14-23-13-16(12-21)19-18(7-8-22-20(19)23)15-5-4-6-17(24)11-15;1-20(2,3)7-6-19-10-18-9-11(8-16)13-12(15)4-5-17-14(13)18/h4-8,11,13,24H,9-10,14H2,1-3H3;4-5,9H,6-7,10H2,1-3H3
InChIKeyMVKCZRVARSEIQX-UHFFFAOYSA-N
MW764.82 g/mol
LogP8.42
Rot. Bonds11

About 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 159682716) has the molecular formula C34H41IN6O3Si2 and a molecular weight of 764.82 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID159682716
Molecular FormulaC34H41IN6O3Si2
Molecular Weight764.82 g/mol
Exact Mass764.18
IUPAC Name4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(C#N)c2c(-c3cccc(O)c3)ccnc21.C[Si](C)(C)CCOCn1cc(C#N)c2c(I)ccnc21
InChIInChI=1S/C20H23N3O2Si.C14H18IN3OSi/c1-26(2,3)10-9-25-14-23-13-16(12-21)19-18(7-8-22-20(19)23)15-5-4-6-17(24)11-15;1-20(2,3)7-6-19-10-18-9-11(8-16)13-12(15)4-5-17-14(13)18/h4-8,11,13,24H,9-10,14H2,1-3H3;4-5,9H,6-7,10H2,1-3H3
InChIKeyMVKCZRVARSEIQX-UHFFFAOYSA-N
XLogP8.42
TPSA121.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.82
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 161136857
3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 123276182
4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 137199432
5-[4-(2,6-difluoro-4-nitrophenoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-fluorobenzonitrile
CID 142518616
trimethyl-[2-[(4-methylsulfanyl-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169588
trimethyl-[2-[(3-phenyl-4-pyrrol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169697
5-[4-(2,6-difluoro-4-nitrophenoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-methoxybenzonitrile
CID 142518646
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851
6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436040
2-[4-[4-(4-amino-2,6-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]phenoxy]acetonitrile
CID 142518592
N-[3-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163252146
5-[4-[4-nitro-2-(trifluoromethyl)phenoxy]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxybenzonitrile
CID 142518446

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 159682716) is 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is C[Si](C)(C)CCOCn1cc(C#N)c2c(-c3cccc(O)c3)ccnc21.C[Si](C)(C)CCOCn1cc(C#N)c2c(I)ccnc21.
What is the InChIKey of 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is MVKCZRVARSEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2Si.C14H18IN3OSi/c1-26(2,3)10-9-25-14-23-13-16(12-21)19-18(7-8-22-20(19)23)15-5-4-6-17(24)11-15;1-20(2,3)7-6-19-10-18-9-11(8-16)13-12(15)4-5-17-14(13)18/h4-8,11,13,24H,9-10,14H2,1-3H3;4-5,9H,6-7,10H2,1-3H3.
What are the key properties of 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 764.82 g/mol, XLogP of 8.42, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 159682716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).