5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile

C20H31N5OSi — CID 177245930

IUPAC5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2cc3cc(C#N)n(COCC[Si](C)(C)C)c3cn2)CC1
InChIInChI=1S/C20H31N5OSi/c1-24-7-5-17(6-8-24)23-20-12-16-11-18(13-21)25(19(16)14-22-20)15-26-9-10-27(2,3)4/h11-12,14,17H,5-10,15H2,1-4H3,(H,22,23)
InChIKeyKQQLPTFIIWIZIS-UHFFFAOYSA-N
MW385.59 g/mol
LogP3.73
Rot. Bonds7

About 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile

5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile (PubChem CID 177245930) has the molecular formula C20H31N5OSi and a molecular weight of 385.59 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile
PubChem CID177245930
Molecular FormulaC20H31N5OSi
Molecular Weight385.59 g/mol
Exact Mass385.23
IUPAC Name5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2cc3cc(C#N)n(COCC[Si](C)(C)C)c3cn2)CC1
InChIInChI=1S/C20H31N5OSi/c1-24-7-5-17(6-8-24)23-20-12-16-11-18(13-21)25(19(16)14-22-20)15-26-9-10-27(2,3)4/h11-12,14,17H,5-10,15H2,1-4H3,(H,22,23)
InChIKeyKQQLPTFIIWIZIS-UHFFFAOYSA-N
XLogP3.73
TPSA66.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (1S,5R)-3-[[2-cyano-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 172599123
4-bromo-3-fluoro-5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile
CID 177245895
2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine
CID 169097868
tert-butyl 4-[[5-cyano-4-[1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 171839783
4-methoxy-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 115922912
5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile
CID 172598412
2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 156708035
5-[(1-methylpiperidin-4-yl)amino]-3-(3-phenylprop-1-ynyl)furo[2,3-c]pyridine-2-carbonitrile
CID 172599187
2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156708312
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
CID 169097833
13-[(3S)-3-hydroxypyrrolidin-1-yl]-8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58365043
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 123215679

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile (CID 177245930) is 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile is CN1CCC(Nc2cc3cc(C#N)n(COCC[Si](C)(C)C)c3cn2)CC1.
What is the InChIKey of 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is KQQLPTFIIWIZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5OSi/c1-24-7-5-17(6-8-24)23-20-12-16-11-18(13-21)25(19(16)14-22-20)15-26-9-10-27(2,3)4/h11-12,14,17H,5-10,15H2,1-4H3,(H,22,23).
What are the key properties of 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile?
5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 385.59 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 177245930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).