7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde

C21H26N2O2S — CID 24947784

IUPAC7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde
SMILESO=CN1CCc2cc(OCCCN3CCCC3)sc2C1c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-16-23-13-9-18-15-19(25-14-6-12-22-10-4-5-11-22)26-21(18)20(23)17-7-2-1-3-8-17/h1-3,7-8,15-16,20H,4-6,9-14H2
InChIKeyIVXPQSGQLKIARX-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.72
Rot. Bonds7

About 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde

7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde (PubChem CID 24947784) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde
PubChem CID24947784
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde
SMILESO=CN1CCc2cc(OCCCN3CCCC3)sc2C1c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-16-23-13-9-18-15-19(25-14-6-12-22-10-4-5-11-22)26-21(18)20(23)17-7-2-1-3-8-17/h1-3,7-8,15-16,20H,4-6,9-14H2
InChIKeyIVXPQSGQLKIARX-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde?
The IUPAC name of 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde (CID 24947784) is 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde.
What is the SMILES notation for 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde?
The canonical SMILES for 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde is O=CN1CCc2cc(OCCCN3CCCC3)sc2C1c1ccccc1.
What is the InChIKey of 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde?
The InChIKey is IVXPQSGQLKIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-16-23-13-9-18-15-19(25-14-6-12-22-10-4-5-11-22)26-21(18)20(23)17-7-2-1-3-8-17/h1-3,7-8,15-16,20H,4-6,9-14H2.
What are the key properties of 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde?
7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde has a molecular weight of 370.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-(3-pyrrolidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbaldehyde is sourced from PubChem (CID 24947784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).