9K2

1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine

Created:	2017-05-26
Last modified:	2018-05-16

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2 entries where 9K2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	16

2D diagram of 9K2

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Chemical Component Summary
Name	1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
Systematic Name (OpenEye OEToolkits)	1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
Formula	C₁₇ H₁₈ F N₃
Molecular Weight	283.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3C
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F
Canonical SMILES	CACTVS	3.385	CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3C
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F
InChI	InChI	1.03	InChI=1S/C17H18FN3/c1-11-8-13(18)5-6-14(11)12-4-7-16-15(9-12)17(20-19-16)10-21(2)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKey	InChI	1.03	DBUAKDPVYBEAFM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132282552

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