A1A0A

(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine

Created:	2024-07-30
Last modified:	2025-04-30

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2 entries where A1A0A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	12

2D diagram of A1A0A

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Chemical Component Summary
Name	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[5-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-2,3-bis(fluoranyl)phenyl]-4-methyl-pyridin-2-amine
Formula	C₁₈ H₁₉ F₄ N₃
Molecular Weight	353.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CCC(F)(F)CC1
SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CCC(F)(F)CC3)cc(F)c2F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CCC(CC3)(F)F
Canonical SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CCC(F)(F)CC3)cc(F)c2F
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CCC(CC3)(F)F
InChI	InChI	1.06	InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)
InChIKey	InChI	1.06	UDTZICNKNULRRC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	172994066

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.