lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide

C84H84F9LiN16O12 — CID 157238575

IUPAClithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide
SMILESC1CNCCN1.COC(=O)c1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc1C(F)(F)F.O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(C(=O)N2CCNCC2)c(C(F)(F)F)c1.O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(C(=O)O)c(C(F)(F)F)c1.[Li+].[OH-]
InChIInChI=1S/C29H29F3N6O3.C26H23F3N4O4.C25H21F3N4O4.C4H10N2.Li.H2O/c30-29(31,32)24-17-20(5-6-23(24)28(40)38-14-12-33-13-15-38)37-26(39)7-4-19-2-1-3-21(16-19)41-22-8-9-34-25(18-22)27-35-10-11-36-27;1-36-25(35)20-7-6-17(14-21(20)26(27,28)29)33-23(34)8-5-16-3-2-4-18(13-16)37-19-9-10-30-22(15-19)24-31-11-12-32-24;26-25(27,28)20-13-16(5-6-19(20)24(34)35)32-22(33)7-4-15-2-1-3-17(12-15)36-18-8-9-29-21(14-18)23-30-10-11-31-23;1-2-6-4-3-5-1;;/h1-3,5-6,8-9,16-18,33H,4,7,10-15H2,(H,35,36)(H,37,39);2-4,6-7,9-10,13-15H,5,8,11-12H2,1H3,(H,31,32)(H,33,34);1-3,5-6,8-9,12-14H,4,7,10-11H2,(H,30,31)(H,32,33)(H,34,35);5-6H,1-4H2;;1H2/q;;;;+1;/p-1
InChIKeyAUXYZTUTUGFOKB-UHFFFAOYSA-M
MW1687.62 g/mol
LogP8.98
Rot. Bonds24

About lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide

lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide (PubChem CID 157238575) has the molecular formula C84H84F9LiN16O12 and a molecular weight of 1687.62 g/mol. Its IUPAC name is lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide.

Molecular Properties

Compound Namelithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide
PubChem CID157238575
Molecular FormulaC84H84F9LiN16O12
Molecular Weight1687.62 g/mol
Exact Mass1686.65
IUPAC Namelithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide
SMILESC1CNCCN1.COC(=O)c1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc1C(F)(F)F.O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(C(=O)N2CCNCC2)c(C(F)(F)F)c1.O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(C(=O)O)c(C(F)(F)F)c1.[Li+].[OH-]
InChIInChI=1S/C29H29F3N6O3.C26H23F3N4O4.C25H21F3N4O4.C4H10N2.Li.H2O/c30-29(31,32)24-17-20(5-6-23(24)28(40)38-14-12-33-13-15-38)37-26(39)7-4-19-2-1-3-21(16-19)41-22-8-9-34-25(18-22)27-35-10-11-36-27;1-36-25(35)20-7-6-17(14-21(20)26(27,28)29)33-23(34)8-5-16-3-2-4-18(13-16)37-19-9-10-30-22(15-19)24-31-11-12-32-24;26-25(27,28)20-13-16(5-6-19(20)24(34)35)32-22(33)7-4-15-2-1-3-17(12-15)36-18-8-9-29-21(14-18)23-30-10-11-31-23;1-2-6-4-3-5-1;;/h1-3,5-6,8-9,16-18,33H,4,7,10-15H2,(H,35,36)(H,37,39);2-4,6-7,9-10,13-15H,5,8,11-12H2,1H3,(H,31,32)(H,33,34);1-3,5-6,8-9,12-14H,4,7,10-11H2,(H,30,31)(H,32,33)(H,34,35);5-6H,1-4H2;;1H2/q;;;;+1;/p-1
InChIKeyAUXYZTUTUGFOKB-UHFFFAOYSA-M
XLogP8.98
TPSA376.83 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001687.62
LogP ≤ 58.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 68684867
3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[3-fluoro-5-(trifluoromethyl)phenyl]propanamide
CID 58674427
N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 58674611
N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 143262869
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 11532260
3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-methylphenyl)propanamide
CID 58674307
3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
CID 162582215
[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]methylcarbamic acid
CID 68683053
3-[3-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674525
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 58674620
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(2-methyl-2-oxidohydrazinyl)-4-pyridinyl]oxy]phenyl]propanamide
CID 163922153
3-[3-[[2-[(1-aminoethylideneamino)methyl]-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674463

Frequently Asked Questions

What is the IUPAC name of lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide?
The IUPAC name of lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide (CID 157238575) is lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide.
What is the SMILES notation for lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide?
The canonical SMILES for lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide is C1CNCCN1.COC(=O)c1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc1C(F)(F)F.O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(C(=O)N2CCNCC2)c(C(F)(F)F)c1.O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(C(=O)O)c(C(F)(F)F)c1.[Li+].[OH-].
What is the InChIKey of lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide?
The InChIKey is AUXYZTUTUGFOKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H29F3N6O3.C26H23F3N4O4.C25H21F3N4O4.C4H10N2.Li.H2O/c30-29(31,32)24-17-20(5-6-23(24)28(40)38-14-12-33-13-15-38)37-26(39)7-4-19-2-1-3-21(16-19)41-22-8-9-34-25(18-22)27-35-10-11-36-27;1-36-25(35)20-7-6-17(14-21(20)26(27,28)29)33-23(34)8-5-16-3-2-4-18(13-16)37-19-9-10-30-22(15-19)24-31-11-12-32-24;26-25(27,28)20-13-16(5-6-19(20)24(34)35)32-22(33)7-4-15-2-1-3-17(12-15)36-18-8-9-29-21(14-18)23-30-10-11-31-23;1-2-6-4-3-5-1;;/h1-3,5-6,8-9,16-18,33H,4,7,10-15H2,(H,35,36)(H,37,39);2-4,6-7,9-10,13-15H,5,8,11-12H2,1H3,(H,31,32)(H,33,34);1-3,5-6,8-9,12-14H,4,7,10-11H2,(H,30,31)(H,32,33)(H,34,35);5-6H,1-4H2;;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide?
lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide has a molecular weight of 1687.62 g/mol, XLogP of 8.98, 24 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide is sourced from PubChem (CID 157238575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).