3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

C25H29N5O2Si — CID 123276182

IUPAC3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C#N)c2)c2c(N3CCOCC3)c(C#N)cnc21
InChIInChI=1S/C25H29N5O2Si/c1-33(2,3)12-11-32-18-30-17-22(20-6-4-5-19(13-20)14-26)23-24(29-7-9-31-10-8-29)21(15-27)16-28-25(23)30/h4-6,13,16-17H,7-12,18H2,1-3H3
InChIKeyJLJDBPXQRYLPPG-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.60
Rot. Bonds7

About 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 123276182) has the molecular formula C25H29N5O2Si and a molecular weight of 459.63 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID123276182
Molecular FormulaC25H29N5O2Si
Molecular Weight459.63 g/mol
Exact Mass459.21
IUPAC Name3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C#N)c2)c2c(N3CCOCC3)c(C#N)cnc21
InChIInChI=1S/C25H29N5O2Si/c1-33(2,3)12-11-32-18-30-17-22(20-6-4-5-19(13-20)14-26)23-24(29-7-9-31-10-8-29)21(15-27)16-28-25(23)30/h4-6,13,16-17H,7-12,18H2,1-3H3
InChIKeyJLJDBPXQRYLPPG-UHFFFAOYSA-N
XLogP4.60
TPSA87.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 123276182) is 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is C[Si](C)(C)CCOCn1cc(-c2cccc(C#N)c2)c2c(N3CCOCC3)c(C#N)cnc21.
What is the InChIKey of 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is JLJDBPXQRYLPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2Si/c1-33(2,3)12-11-32-18-30-17-22(20-6-4-5-19(13-20)14-26)23-24(29-7-9-31-10-8-29)21(15-27)16-28-25(23)30/h4-6,13,16-17H,7-12,18H2,1-3H3.
What are the key properties of 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 459.63 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 123276182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).