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

C24H17N3O2 — CID 127027563

IUPAC6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(C)c3ccccc23)c1C#N
InChIInChI=1S/C24H17N3O2/c1-27-14-19(16-8-4-5-9-21(16)27)17-12-20(26-24(28-2)18(17)13-25)23-11-15-7-3-6-10-22(15)29-23/h3-12,14H,1-2H3
InChIKeyBKIZYQJSXGKSKR-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.53
Rot. Bonds3

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

6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile (PubChem CID 127027563) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
PubChem CID127027563
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(C)c3ccccc23)c1C#N
InChIInChI=1S/C24H17N3O2/c1-27-14-19(16-8-4-5-9-21(16)27)17-12-20(26-24(28-2)18(17)13-25)23-11-15-7-3-6-10-22(15)29-23/h3-12,14H,1-2H3
InChIKeyBKIZYQJSXGKSKR-UHFFFAOYSA-N
XLogP5.53
TPSA63.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.53
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-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile (CID 127027563) is 6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile is COc1nc(-c2cc3ccccc3o2)cc(-c2cn(C)c3ccccc23)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
The InChIKey is BKIZYQJSXGKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-27-14-19(16-8-4-5-9-21(16)27)17-12-20(26-24(28-2)18(17)13-25)23-11-15-7-3-6-10-22(15)29-23/h3-12,14H,1-2H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 5.53, 3 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-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 127027563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).