methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate

C18H28N2O2Si — CID 66679244

IUPACmethyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C18H28N2O2Si/c1-12(2)23(13(3)4,14(5)6)20-9-8-15-10-16(18(21)22-7)11-19-17(15)20/h8-14H,1-7H3
InChIKeyQLKNCJFLEHQUMG-UHFFFAOYSA-N
MW332.52 g/mol
LogP4.85
Rot. Bonds5

About methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate

methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 66679244) has the molecular formula C18H28N2O2Si and a molecular weight of 332.52 g/mol. Its IUPAC name is methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID66679244
Molecular FormulaC18H28N2O2Si
Molecular Weight332.52 g/mol
Exact Mass332.19
IUPAC Namemethyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C18H28N2O2Si/c1-12(2)23(13(3)4,14(5)6)20-9-8-15-10-16(18(21)22-7)11-19-17(15)20/h8-14H,1-7H3
InChIKeyQLKNCJFLEHQUMG-UHFFFAOYSA-N
XLogP4.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-iodopyrrolo[2,3-b]pyridine-5-carboxylate
CID 141347109
tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 46318196
methyl 1-(4-chloro-4-methylcyclohexa-1,5-dien-1-yl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 86706482
2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid
CID 154168035
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990652
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
CID 154671680
methyl 6-sulfanylquinoline-3-carboxylate
CID 134532830
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 141014223
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
CID 165343915

Frequently Asked Questions

What is the IUPAC name of methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate (CID 66679244) is methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is QLKNCJFLEHQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2Si/c1-12(2)23(13(3)4,14(5)6)20-9-8-15-10-16(18(21)22-7)11-19-17(15)20/h8-14H,1-7H3.
What are the key properties of methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 332.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 66679244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).