3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile

C24H21N3O — CID 11257134

IUPAC3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1
InChIInChI=1S/C24H21N3O/c25-14-17-5-6-23-21(13-17)22(15-26-23)18-7-10-27(11-8-18)12-9-19-16-28-24-4-2-1-3-20(19)24/h1-7,13,15-16,26H,8-12H2
InChIKeyYCWVCIMQAUJVRF-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.12
Rot. Bonds4

About 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile

3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile (PubChem CID 11257134) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
PubChem CID11257134
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1
InChIInChI=1S/C24H21N3O/c25-14-17-5-6-23-21(13-17)22(15-26-23)18-7-10-27(11-8-18)12-9-19-16-28-24-4-2-1-3-20(19)24/h1-7,13,15-16,26H,8-12H2
InChIKeyYCWVCIMQAUJVRF-UHFFFAOYSA-N
XLogP5.12
TPSA55.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile (CID 11257134) is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1.
What is the InChIKey of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
The InChIKey is YCWVCIMQAUJVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c25-14-17-5-6-23-21(13-17)22(15-26-23)18-7-10-27(11-8-18)12-9-19-16-28-24-4-2-1-3-20(19)24/h1-7,13,15-16,26H,8-12H2.
What are the key properties of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile?
3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 11257134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).