potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide

C74H66Cl3F9KN9O11 — CID 158546401

IUPACpotassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide
SMILESCCO.N#Cc1cc(Oc2ccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.O=C(CCc1ccc(Oc2ccnc(C(=O)NCCN3CCCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.[K+].[OH-]
InChIInChI=1S/C28H28ClF3N4O3.C22H15ClF3N3O2.C22H16ClF3N2O4.C2H6O.K.H2O/c29-24-9-6-20(17-23(24)28(30,31)32)35-26(37)10-5-19-3-7-21(8-4-19)39-22-11-12-33-25(18-22)27(38)34-13-16-36-14-1-2-15-36;23-20-7-4-15(12-19(20)22(24,25)26)29-21(30)8-3-14-1-5-17(6-2-14)31-18-9-10-28-16(11-18)13-27;23-18-7-4-14(11-17(18)22(24,25)26)28-20(29)8-3-13-1-5-15(6-2-13)32-16-9-10-27-19(12-16)21(30)31;1-2-3;;/h3-4,6-9,11-12,17-18H,1-2,5,10,13-16H2,(H,34,38)(H,35,37);1-2,4-7,9-12H,3,8H2,(H,29,30);1-2,4-7,9-12H,3,8H2,(H,28,29)(H,30,31);3H,2H2,1H3;;1H2/q;;;;+1;/p-1
InChIKeyHPDYPSVPAGQYRL-UHFFFAOYSA-M
MW1573.83 g/mol
LogP14.57
Rot. Bonds23

About potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide

potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide (PubChem CID 158546401) has the molecular formula C74H66Cl3F9KN9O11 and a molecular weight of 1573.83 g/mol. Its IUPAC name is potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide.

Molecular Properties

Compound Namepotassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide
PubChem CID158546401
Molecular FormulaC74H66Cl3F9KN9O11
Molecular Weight1573.83 g/mol
Exact Mass1571.34
IUPAC Namepotassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide
SMILESCCO.N#Cc1cc(Oc2ccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.O=C(CCc1ccc(Oc2ccnc(C(=O)NCCN3CCCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.[K+].[OH-]
InChIInChI=1S/C28H28ClF3N4O3.C22H15ClF3N3O2.C22H16ClF3N2O4.C2H6O.K.H2O/c29-24-9-6-20(17-23(24)28(30,31)32)35-26(37)10-5-19-3-7-21(8-4-19)39-22-11-12-33-25(18-22)27(38)34-13-16-36-14-1-2-15-36;23-20-7-4-15(12-19(20)22(24,25)26)29-21(30)8-3-14-1-5-17(6-2-14)31-18-9-10-28-16(11-18)13-27;23-18-7-4-14(11-17(18)22(24,25)26)28-20(29)8-3-13-1-5-15(6-2-13)32-16-9-10-27-19(12-16)21(30)31;1-2-3;;/h3-4,6-9,11-12,17-18H,1-2,5,10,13-16H2,(H,34,38)(H,35,37);1-2,4-7,9-12H,3,8H2,(H,29,30);1-2,4-7,9-12H,3,8H2,(H,28,29)(H,30,31);3H,2H2,1H3;;1H2/q;;;;+1;/p-1
InChIKeyHPDYPSVPAGQYRL-UHFFFAOYSA-M
XLogP14.57
TPSA297.32 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001573.83
LogP ≤ 514.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide with MolForge

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Related Compounds

4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 58674676
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropanoic acid;N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 157053801
4-amino-3-fluorophenol;4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;4-chloro-N-methylpyridine-2-carboxamide;bis(4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide)
CID 157274220
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157340873
dicesium;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;4-[4-[4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)butanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)butanamide;hydride;4-(4-methoxyphenyl)butanoic acid;oxido formate;tribromoborane
CID 157362196
5-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoacetic acid;N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]phenyl]oxamide;methane
CID 157959369
1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 157977755
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-(4-cyanophenyl)urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 158001971
4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)propanamide;3-(4-hydroxyphenyl)propanoic acid
CID 158054560
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 158125392
4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane
CID 158127825
1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 158143480

Frequently Asked Questions

What is the IUPAC name of potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide?
The IUPAC name of potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide (CID 158546401) is potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide.
What is the SMILES notation for potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide?
The canonical SMILES for potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide is CCO.N#Cc1cc(Oc2ccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.O=C(CCc1ccc(Oc2ccnc(C(=O)NCCN3CCCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.[K+].[OH-].
What is the InChIKey of potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide?
The InChIKey is HPDYPSVPAGQYRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H28ClF3N4O3.C22H15ClF3N3O2.C22H16ClF3N2O4.C2H6O.K.H2O/c29-24-9-6-20(17-23(24)28(30,31)32)35-26(37)10-5-19-3-7-21(8-4-19)39-22-11-12-33-25(18-22)27(38)34-13-16-36-14-1-2-15-36;23-20-7-4-15(12-19(20)22(24,25)26)29-21(30)8-3-14-1-5-17(6-2-14)31-18-9-10-28-16(11-18)13-27;23-18-7-4-14(11-17(18)22(24,25)26)28-20(29)8-3-13-1-5-15(6-2-13)32-16-9-10-27-19(12-16)21(30)31;1-2-3;;/h3-4,6-9,11-12,17-18H,1-2,5,10,13-16H2,(H,34,38)(H,35,37);1-2,4-7,9-12H,3,8H2,(H,29,30);1-2,4-7,9-12H,3,8H2,(H,28,29)(H,30,31);3H,2H2,1H3;;1H2/q;;;;+1;/p-1.
What are the key properties of potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide?
potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide has a molecular weight of 1573.83 g/mol, XLogP of 14.57, 23 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carboxylic acid;4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide;ethanol;hydroxide is sourced from PubChem (CID 158546401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).