Y90

6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile

Created:	2022-04-01
Last modified:	2023-03-29

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1 entries where Y90 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	12

2D diagram of Y90

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Chemical Component Summary
Name	6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	6-[4-[2-(4-cyclopropyl-2-fluoranyl-phenyl)ethanoyl]piperazin-1-yl]pyridazine-3-carbonitrile
Formula	C₂₀ H₂₀ F N₅ O
Molecular Weight	365.404
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Cc1ccc(cc1F)C1CC1)N1CCN(CC1)c1ccc(C#N)nn1
SMILES	CACTVS	3.385	Fc1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4ccc(nn4)C#N
Canonical SMILES	CACTVS	3.385	Fc1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4ccc(nn4)C#N
InChI	InChI	1.03	InChI=1S/C20H20FN5O/c21-18-11-15(14-1-2-14)3-4-16(18)12-20(27)26-9-7-25(8-10-26)19-6-5-17(13-22)23-24-19/h3-6,11,14H,1-2,7-10,12H2
InChIKey	InChI	1.03	QDOXEUXHHCGQMM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	142616992

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