potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide

C75H59BBrF9I3KN9O8- — CID 167633954

IUPACpotassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide
SMILESC.COc1c(C)c(-c2cn3cc(-c4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(-c2cn3cc(Br)ccc3n2)nc2ccccc12.Cc1c(-c2cn3cc(-c4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.I[I-]I.OB(O)c1ccc(OC(F)(F)F)cc1.[H-].[K+]
InChIInChI=1S/C25H18F3N3O2.C24H16F3N3O2.C18H14BrN3O.C7H6BF3O3.CH4.I3.K.H/c1-15-23(30-20-6-4-3-5-19(20)24(15)32-2)21-14-31-13-17(9-12-22(31)29-21)16-7-10-18(11-8-16)33-25(26,27)28;1-14-22(29-19-5-3-2-4-18(19)23(14)31)20-13-30-12-16(8-11-21(30)28-20)15-6-9-17(10-7-15)32-24(25,26)27;1-11-17(15-10-22-9-12(19)7-8-16(22)20-15)21-14-6-4-3-5-13(14)18(11)23-2;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;;1-3-2;;/h3-14H,1-2H3;2-13H,1H3,(H,29,31);3-10H,1-2H3;1-4,12-13H;1H4;;;/q;;;;;-1;+1;-1
InChIKeyVNYSRHUQKDYLIE-UHFFFAOYSA-N
MW1895.86 g/mol
LogP13.57
Rot. Bonds11

About potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide

potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide (PubChem CID 167633954) has the molecular formula C75H59BBrF9I3KN9O8- and a molecular weight of 1895.86 g/mol. Its IUPAC name is potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide.

Molecular Properties

Compound Namepotassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide
PubChem CID167633954
Molecular FormulaC75H59BBrF9I3KN9O8-
Molecular Weight1895.86 g/mol
Exact Mass1894.04
IUPAC Namepotassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide
SMILESC.COc1c(C)c(-c2cn3cc(-c4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(-c2cn3cc(Br)ccc3n2)nc2ccccc12.Cc1c(-c2cn3cc(-c4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.I[I-]I.OB(O)c1ccc(OC(F)(F)F)cc1.[H-].[K+]
InChIInChI=1S/C25H18F3N3O2.C24H16F3N3O2.C18H14BrN3O.C7H6BF3O3.CH4.I3.K.H/c1-15-23(30-20-6-4-3-5-19(20)24(15)32-2)21-14-31-13-17(9-12-22(31)29-21)16-7-10-18(11-8-16)33-25(26,27)28;1-14-22(29-19-5-3-2-4-18(19)23(14)31)20-13-30-12-16(8-11-21(30)28-20)15-6-9-17(10-7-15)32-24(25,26)27;1-11-17(15-10-22-9-12(19)7-8-16(22)20-15)21-14-6-4-3-5-13(14)18(11)23-2;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;;1-3-2;;/h3-14H,1-2H3;2-13H,1H3,(H,29,31);3-10H,1-2H3;1-4,12-13H;1H4;;;/q;;;;;-1;+1;-1
InChIKeyVNYSRHUQKDYLIE-UHFFFAOYSA-N
XLogP13.57
TPSA197.15 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.86
LogP ≤ 513.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide with MolForge

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Related Compounds

CID 157252684
CID 157252684
bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158947957
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159643770
CID 159672719
CID 159672719
6-bromo-2-[1-(4-methoxyphenyl)propan-2-yl]pyrido[2,3-d]pyrimidine;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 162013147
2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate
CID 167552750
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;methane;3-methyl-4-phenylmethoxy-2-[6-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;3-(trifluoromethyl)piperidine
CID 167569389
CID 167574994
CID 167574994
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromopyridin-2-amine;2-chloro-4-methoxy-3-methylquinoline;fluoroform;(3-hydroxyphenyl)boronic acid;methane;1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-methoxy-3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;2-methylprop-1-ene;3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;triiodo-lambda3-iodane;triiodide;hydroiodide
CID 167575909
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride
CID 167608884
2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine
CID 167643074
azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 167669686

Frequently Asked Questions

What is the IUPAC name of potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide?
The IUPAC name of potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide (CID 167633954) is potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide.
What is the SMILES notation for potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide?
The canonical SMILES for potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide is C.COc1c(C)c(-c2cn3cc(-c4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(-c2cn3cc(Br)ccc3n2)nc2ccccc12.Cc1c(-c2cn3cc(-c4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.I[I-]I.OB(O)c1ccc(OC(F)(F)F)cc1.[H-].[K+].
What is the InChIKey of potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide?
The InChIKey is VNYSRHUQKDYLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O2.C24H16F3N3O2.C18H14BrN3O.C7H6BF3O3.CH4.I3.K.H/c1-15-23(30-20-6-4-3-5-19(20)24(15)32-2)21-14-31-13-17(9-12-22(31)29-21)16-7-10-18(11-8-16)33-25(26,27)28;1-14-22(29-19-5-3-2-4-18(19)23(14)31)20-13-30-12-16(8-11-21(30)28-20)15-6-9-17(10-7-15)32-24(25,26)27;1-11-17(15-10-22-9-12(19)7-8-16(22)20-15)21-14-6-4-3-5-13(14)18(11)23-2;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;;1-3-2;;/h3-14H,1-2H3;2-13H,1H3,(H,29,31);3-10H,1-2H3;1-4,12-13H;1H4;;;/q;;;;;-1;+1;-1.
What are the key properties of potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide?
potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide has a molecular weight of 1895.86 g/mol, XLogP of 13.57, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide is sourced from PubChem (CID 167633954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).