NDK

6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile

Created:	2022-04-01
Last modified:	2023-04-05

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1 entries where NDK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	12

2D diagram of NDK

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Chemical Component Summary
Name	6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	6-[4-[2-(5-fluoranyl-6-propan-2-yl-pyridin-3-yl)ethanoyl]piperazin-1-yl]pyridazine-3-carbonitrile
Formula	C₁₉ H₂₁ F N₆ O
Molecular Weight	368.408
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Cc1cc(F)c(nc1)C(C)C)N1CCN(CC1)c1ccc(C#N)nn1
SMILES	CACTVS	3.385	CC(C)c1ncc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1F
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1c(cc(cn1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)F
Canonical SMILES	CACTVS	3.385	CC(C)c1ncc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1c(cc(cn1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)F
InChI	InChI	1.03	InChI=1S/C19H21FN6O/c1-13(2)19-16(20)9-14(12-22-19)10-18(27)26-7-5-25(6-8-26)17-4-3-15(11-21)23-24-17/h3-4,9,12-13H,5-8,10H2,1-2H3
InChIKey	InChI	1.03	KVGVKTZXYYUWKQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139548112

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