6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile

C25H19N3O2 — CID 127027871

IUPAC6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile
SMILESCCn1cc(-c2cc(-c3cc4ccccc4o3)nc(OC)c2C#N)c2ccccc21
InChIInChI=1S/C25H19N3O2/c1-3-28-15-20(17-9-5-6-10-22(17)28)18-13-21(27-25(29-2)19(18)14-26)24-12-16-8-4-7-11-23(16)30-24/h4-13,15H,3H2,1-2H3
InChIKeySVPWGNZWKHDYMT-UHFFFAOYSA-N
MW393.45 g/mol
LogP6.02
Rot. Bonds4

About 6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile (PubChem CID 127027871) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile
PubChem CID127027871
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile
SMILESCCn1cc(-c2cc(-c3cc4ccccc4o3)nc(OC)c2C#N)c2ccccc21
InChIInChI=1S/C25H19N3O2/c1-3-28-15-20(17-9-5-6-10-22(17)28)18-13-21(27-25(29-2)19(18)14-26)24-12-16-8-4-7-11-23(16)30-24/h4-13,15H,3H2,1-2H3
InChIKeySVPWGNZWKHDYMT-UHFFFAOYSA-N
XLogP6.02
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 ≤ 56.02
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)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile (CID 127027871) is 6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile is CCn1cc(-c2cc(-c3cc4ccccc4o3)nc(OC)c2C#N)c2ccccc21.
What is the InChIKey of 6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is SVPWGNZWKHDYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-3-28-15-20(17-9-5-6-10-22(17)28)18-13-21(27-25(29-2)19(18)14-26)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)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 393.45 g/mol, XLogP of 6.02, 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)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 127027871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).