I6Y

1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole

Created:	2022-02-16
Last modified:	2023-03-01

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1 entries where I6Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	16

2D diagram of I6Y

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Chemical Component Summary
Name	1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole
Systematic Name (OpenEye OEToolkits)	1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole
Formula	C₁₉ H₂₂ N₄
Molecular Weight	306.405
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C1CN(CCN1)CCn2ccc3cc(ccc23)c4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(ccn2CCN3CCNCC3)cc1c4ccncc4
Canonical SMILES	CACTVS	3.385	C1CN(CCN1)CCn2ccc3cc(ccc23)c4ccncc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(ccn2CCN3CCNCC3)cc1c4ccncc4
InChI	InChI	1.06	InChI=1S/C19H22N4/c1-2-19-18(15-17(1)16-3-6-20-7-4-16)5-10-23(19)14-13-22-11-8-21-9-12-22/h1-7,10,15,21H,8-9,11-14H2
InChIKey	InChI	1.06	VBMJJJLARMSVGX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166625055

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.