6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile

C25H19N3O2 — CID 127027564

IUPAC6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(C)c3ccccc23)c1C#N
InChIInChI=1S/C25H19N3O2/c1-3-29-25-19(14-26)18(20-15-28(2)22-10-6-5-9-17(20)22)13-21(27-25)24-12-16-8-4-7-11-23(16)30-24/h4-13,15H,3H2,1-2H3
InChIKeyUBBXRZPVYAUZCZ-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.92
Rot. Bonds4

About 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile (PubChem CID 127027564) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
PubChem CID127027564
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(C)c3ccccc23)c1C#N
InChIInChI=1S/C25H19N3O2/c1-3-29-25-19(14-26)18(20-15-28(2)22-10-6-5-9-17(20)22)13-21(27-25)24-12-16-8-4-7-11-23(16)30-24/h4-13,15H,3H2,1-2H3
InChIKeyUBBXRZPVYAUZCZ-UHFFFAOYSA-N
XLogP5.92
TPSA63.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile (CID 127027564) is 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile is CCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(C)c3ccccc23)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
The InChIKey is UBBXRZPVYAUZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-3-29-25-19(14-26)18(20-15-28(2)22-10-6-5-9-17(20)22)13-21(27-25)24-12-16-8-4-7-11-23(16)30-24/h4-13,15H,3H2,1-2H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile has a molecular weight of 393.45 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 127027564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).