HW6

6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

Created:	2011-11-23
Last modified:	2011-11-23

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1 entries where HW6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	2
Bond Count	59
Aromatic Bond Count	12

2D diagram of HW6

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Chemical Component Summary
Name	6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[[(3R,4R)-4-[5-(3-chloranyl-5-fluoranyl-phenyl)pentoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine
Formula	C₂₂ H₂₉ Cl F N₃ O
Molecular Weight	405.937
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(cc(Cl)c1)CCCCCOC2C(CNC2)Cc3nc(N)cc(c3)C
SMILES	CACTVS	3.370	Cc1cc(N)nc(C[CH]2CNC[CH]2OCCCCCc3cc(F)cc(Cl)c3)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CC2CNCC2OCCCCCc3cc(cc(c3)Cl)F
Canonical SMILES	CACTVS	3.370	Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc3cc(F)cc(Cl)c3)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F
InChI	InChI	1.03	InChI=1S/C22H29ClFN3O/c1-15-7-20(27-22(25)8-15)11-17-13-26-14-21(17)28-6-4-2-3-5-16-9-18(23)12-19(24)10-16/h7-10,12,17,21,26H,2-6,11,13-14H2,1H3,(H2,25,27)/t17-,21+/m1/s1
InChIKey	InChI	1.03	MZDDSPGKIFAODF-UTKZUKDTSA-N

Related Resource References

Resource Name	Reference
PubChem	57345907

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