4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde

C19H26N2OSi — CID 168948183

IUPAC4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCC(C)[Si](C#Cc1c(C=O)cnc2[nH]ccc12)(C(C)C)C(C)C
InChIInChI=1S/C19H26N2OSi/c1-13(2)23(14(3)4,15(5)6)10-8-17-16(12-22)11-21-19-18(17)7-9-20-19/h7,9,11-15H,1-6H3,(H,20,21)
InChIKeyWTLVXMIOYUYUNE-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.94
Rot. Bonds4

About 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde

4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 168948183) has the molecular formula C19H26N2OSi and a molecular weight of 326.52 g/mol. Its IUPAC name is 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID168948183
Molecular FormulaC19H26N2OSi
Molecular Weight326.52 g/mol
Exact Mass326.18
IUPAC Name4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCC(C)[Si](C#Cc1c(C=O)cnc2[nH]ccc12)(C(C)C)C(C)C
InChIInChI=1S/C19H26N2OSi/c1-13(2)23(14(3)4,15(5)6)10-8-17-16(12-22)11-21-19-18(17)7-9-20-19/h7,9,11-15H,1-6H3,(H,20,21)
InChIKeyWTLVXMIOYUYUNE-UHFFFAOYSA-N
XLogP4.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 168948183) is 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde is CC(C)[Si](C#Cc1c(C=O)cnc2[nH]ccc12)(C(C)C)C(C)C.
What is the InChIKey of 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is WTLVXMIOYUYUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OSi/c1-13(2)23(14(3)4,15(5)6)10-8-17-16(12-22)11-21-19-18(17)7-9-20-19/h7,9,11-15H,1-6H3,(H,20,21).
What are the key properties of 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde?
4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 326.52 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tri(propan-2-yl)silylethynyl]-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 168948183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).