3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine

C20H19N3O — CID 141322453

IUPAC3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine
SMILESNc1ncc(C#CCN2CCCC2)c2occ(-c3ccccc3)c12
InChIInChI=1S/C20H19N3O/c21-20-18-17(15-7-2-1-3-8-15)14-24-19(18)16(13-22-20)9-6-12-23-10-4-5-11-23/h1-3,7-8,13-14H,4-5,10-12H2,(H2,21,22)
InChIKeyXUUVIFLEWOAXMU-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.52
Rot. Bonds2

About 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine

3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine (PubChem CID 141322453) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine
PubChem CID141322453
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine
SMILESNc1ncc(C#CCN2CCCC2)c2occ(-c3ccccc3)c12
InChIInChI=1S/C20H19N3O/c21-20-18-17(15-7-2-1-3-8-15)14-24-19(18)16(13-22-20)9-6-12-23-10-4-5-11-23/h1-3,7-8,13-14H,4-5,10-12H2,(H2,21,22)
InChIKeyXUUVIFLEWOAXMU-UHFFFAOYSA-N
XLogP3.52
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine?
The IUPAC name of 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine (CID 141322453) is 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine is Nc1ncc(C#CCN2CCCC2)c2occ(-c3ccccc3)c12.
What is the InChIKey of 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine?
The InChIKey is XUUVIFLEWOAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c21-20-18-17(15-7-2-1-3-8-15)14-24-19(18)16(13-22-20)9-6-12-23-10-4-5-11-23/h1-3,7-8,13-14H,4-5,10-12H2,(H2,21,22).
What are the key properties of 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine?
3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 141322453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).