3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile

C23H22N4O — CID 19438845

IUPAC3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5occc5c4)CC3)c2c1
InChIInChI=1S/C23H22N4O/c24-15-17-1-3-22-21(13-17)19(16-25-22)5-7-26-8-10-27(11-9-26)20-2-4-23-18(14-20)6-12-28-23/h1-4,6,12-14,16,25H,5,7-11H2
InChIKeyMOSOXTNQFNGKHZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.15
Rot. Bonds4

About 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile

3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile (PubChem CID 19438845) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
PubChem CID19438845
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5occc5c4)CC3)c2c1
InChIInChI=1S/C23H22N4O/c24-15-17-1-3-22-21(13-17)19(16-25-22)5-7-26-8-10-27(11-9-26)20-2-4-23-18(14-20)6-12-28-23/h1-4,6,12-14,16,25H,5,7-11H2
InChIKeyMOSOXTNQFNGKHZ-UHFFFAOYSA-N
XLogP4.15
TPSA59.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfuric acid
CID 73389306
3-[4-[4-(2-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;oxamide;hydrochloride
CID 141371465
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[4-[4-(3-cyano-4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 11751791
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide
CID 10163876
3-[2-[4-[4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 118191017
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 69419961
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 69419133
N-(2-amino-3-methylbutanoyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092304
N-carbamoyl-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-propyl-1-benzofuran-2-carboxamide
CID 141411660

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile (CID 19438845) is 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5occc5c4)CC3)c2c1.
What is the InChIKey of 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
The InChIKey is MOSOXTNQFNGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-15-17-1-3-22-21(13-17)19(16-25-22)5-7-26-8-10-27(11-9-26)20-2-4-23-18(14-20)6-12-28-23/h1-4,6,12-14,16,25H,5,7-11H2.
What are the key properties of 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile?
3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 19438845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).