[4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol

C26H38N4O2Si — CID 58078505

IUPAC[4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESC[Si](C)(C)CCOCn1ccc2c(NC3CCN(Cc4ccccc4)CC3)c(CO)cnc21
InChIInChI=1S/C26H38N4O2Si/c1-33(2,3)16-15-32-20-30-14-11-24-25(22(19-31)17-27-26(24)30)28-23-9-12-29(13-10-23)18-21-7-5-4-6-8-21/h4-8,11,14,17,23,31H,9-10,12-13,15-16,18-20H2,1-3H3,(H,27,28)
InChIKeyXCLWUXMVYPTERN-UHFFFAOYSA-N
MW466.70 g/mol
LogP4.92
Rot. Bonds10

About [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol

[4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol (PubChem CID 58078505) has the molecular formula C26H38N4O2Si and a molecular weight of 466.70 g/mol. Its IUPAC name is [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
PubChem CID58078505
Molecular FormulaC26H38N4O2Si
Molecular Weight466.70 g/mol
Exact Mass466.28
IUPAC Name[4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESC[Si](C)(C)CCOCn1ccc2c(NC3CCN(Cc4ccccc4)CC3)c(CO)cnc21
InChIInChI=1S/C26H38N4O2Si/c1-33(2,3)16-15-32-20-30-14-11-24-25(22(19-31)17-27-26(24)30)28-23-9-12-29(13-10-23)18-21-7-5-4-6-8-21/h4-8,11,14,17,23,31H,9-10,12-13,15-16,18-20H2,1-3H3,(H,27,28)
InChIKeyXCLWUXMVYPTERN-UHFFFAOYSA-N
XLogP4.92
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.70
LogP ≤ 54.92
H-Bond Donors ≤ 52
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

1-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 71264259
4-[[4-[amino-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]aniline
CID 89411342
2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 153297382
2-[4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-5-carboxylic acid
CID 155634612
(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 66765875
4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
CID 59292010
tert-butyl 3-[[5-formyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
CID 58078671
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
CID 141355610
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387
tert-butyl (3R)-3-[[5-(2-methyl-1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
CID 155634625

Frequently Asked Questions

What is the IUPAC name of [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol (CID 58078505) is [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol is C[Si](C)(C)CCOCn1ccc2c(NC3CCN(Cc4ccccc4)CC3)c(CO)cnc21.
What is the InChIKey of [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol?
The InChIKey is XCLWUXMVYPTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2Si/c1-33(2,3)16-15-32-20-30-14-11-24-25(22(19-31)17-27-26(24)30)28-23-9-12-29(13-10-23)18-21-7-5-4-6-8-21/h4-8,11,14,17,23,31H,9-10,12-13,15-16,18-20H2,1-3H3,(H,27,28).
What are the key properties of [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol?
[4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol has a molecular weight of 466.70 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-benzylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 58078505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).