4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol

C19H17NO4 — CID 24793989

IUPAC4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol
SMILESCOc1cc(OC)cc(-c2oc3cccnc3c2C#CCCO)c1
InChIInChI=1S/C19H17NO4/c1-22-14-10-13(11-15(12-14)23-2)19-16(6-3-4-9-21)18-17(24-19)7-5-8-20-18/h5,7-8,10-12,21H,4,9H2,1-2H3
InChIKeyIKTWYYWUUAXFJF-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.25
Rot. Bonds4

About 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol

4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol (PubChem CID 24793989) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol
PubChem CID24793989
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol
SMILESCOc1cc(OC)cc(-c2oc3cccnc3c2C#CCCO)c1
InChIInChI=1S/C19H17NO4/c1-22-14-10-13(11-15(12-14)23-2)19-16(6-3-4-9-21)18-17(24-19)7-5-8-20-18/h5,7-8,10-12,21H,4,9H2,1-2H3
InChIKeyIKTWYYWUUAXFJF-UHFFFAOYSA-N
XLogP3.25
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol (CID 24793989) is 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol is COc1cc(OC)cc(-c2oc3cccnc3c2C#CCCO)c1.
What is the InChIKey of 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol?
The InChIKey is IKTWYYWUUAXFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-22-14-10-13(11-15(12-14)23-2)19-16(6-3-4-9-21)18-17(24-19)7-5-8-20-18/h5,7-8,10-12,21H,4,9H2,1-2H3.
What are the key properties of 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol?
4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol has a molecular weight of 323.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 24793989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).