5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde

C22H25N3O2Si — CID 140783411

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC#Cc1cnc(-n2ccc3ccncc32)cc1C=O
InChIInChI=1S/C22H25N3O2Si/c1-22(2,3)28(4,5)27-12-6-7-18-14-24-21(13-19(18)16-26)25-11-9-17-8-10-23-15-20(17)25/h8-11,13-16H,12H2,1-5H3
InChIKeyPFXXUWCZHXGKFK-UHFFFAOYSA-N
MW391.55 g/mol
LogP4.61
Rot. Bonds4

About 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde

5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde (PubChem CID 140783411) has the molecular formula C22H25N3O2Si and a molecular weight of 391.55 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
PubChem CID140783411
Molecular FormulaC22H25N3O2Si
Molecular Weight391.55 g/mol
Exact Mass391.17
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC#Cc1cnc(-n2ccc3ccncc32)cc1C=O
InChIInChI=1S/C22H25N3O2Si/c1-22(2,3)28(4,5)27-12-6-7-18-14-24-21(13-19(18)16-26)25-11-9-17-8-10-23-15-20(17)25/h8-11,13-16H,12H2,1-5H3
InChIKeyPFXXUWCZHXGKFK-UHFFFAOYSA-N
XLogP4.61
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde (CID 140783411) is 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde is CC(C)(C)[Si](C)(C)OCC#Cc1cnc(-n2ccc3ccncc32)cc1C=O.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
The InChIKey is PFXXUWCZHXGKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2Si/c1-22(2,3)28(4,5)27-12-6-7-18-14-24-21(13-19(18)16-26)25-11-9-17-8-10-23-15-20(17)25/h8-11,13-16H,12H2,1-5H3.
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde has a molecular weight of 391.55 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde is sourced from PubChem (CID 140783411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).