JC8

6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide

Created:	2019-02-19
Last modified:	2020-03-18

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1 entries where JC8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	3
Bond Count	43
Aromatic Bond Count	12

2D diagram of JC8

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Chemical Component Summary
Name	6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
Formula	C₁₇ H₁₇ F N₄ O
Molecular Weight	312.341
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc(nc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1C(=O)N)c2cc(cnc2F)C3CC4CCC3N4
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(nc1)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4
InChI	InChI	1.03	InChI=1S/C17H17FN4O/c18-16-13(14-3-1-9(7-20-14)17(19)23)5-10(8-21-16)12-6-11-2-4-15(12)22-11/h1,3,5,7-8,11-12,15,22H,2,4,6H2,(H2,19,23)/t11-,12+,15+/m0/s1
InChIKey	InChI	1.03	OTLVFRDBKUDQLP-YWPYICTPSA-N

Related Resource References

Resource Name	Reference
PubChem	145997880

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