methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C18H28N2O2Si — CID 69408707

IUPACmethyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]ccc2c1[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H28N2O2Si/c1-11(2)23(12(3)4,13(5)6)16-14-8-9-19-17(14)20-10-15(16)18(21)22-7/h8-13H,1-7H3,(H,19,20)
InChIKeyXJDFKBAMOAOIAF-UHFFFAOYSA-N
MW332.52 g/mol
LogP4.24
Rot. Bonds5

About methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 69408707) has the molecular formula C18H28N2O2Si and a molecular weight of 332.52 g/mol. Its IUPAC name is methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID69408707
Molecular FormulaC18H28N2O2Si
Molecular Weight332.52 g/mol
Exact Mass332.19
IUPAC Namemethyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]ccc2c1[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H28N2O2Si/c1-11(2)23(12(3)4,13(5)6)16-14-8-9-19-17(14)20-10-15(16)18(21)22-7/h8-13H,1-7H3,(H,19,20)
InChIKeyXJDFKBAMOAOIAF-UHFFFAOYSA-N
XLogP4.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 126970622
methyl 4-[(5-methyl-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157468591
4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 121267960
methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate
CID 66523140
4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278444
(1-amino-3-methyl-1-oxobutan-2-yl) 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 167944891
4-[[(1R,3R)-3-[tri(propan-2-yl)silyloxymethyl]cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67278383
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
CID 130847866
methyl 4-[[1-[(1R)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138595352
1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 167976274
methyl 5-(4-propan-2-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 172766813
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 69408707) is methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2[nH]ccc2c1[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is XJDFKBAMOAOIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2Si/c1-11(2)23(12(3)4,13(5)6)16-14-8-9-19-17(14)20-10-15(16)18(21)22-7/h8-13H,1-7H3,(H,19,20).
What are the key properties of methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 332.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 69408707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).