sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid

C83H70ArBrF6IN15NaO12 — CID 158999786

IUPACsodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCBr.O=C(NCCN1CCOCC1)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.O=C(O)c1cnc2c(c1)ncn2-c1ccc(O)cc1.O=C(O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.[2H]CI.[Ar].[C-]#[N+]c1cnc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C27H26F3N5O4.C21H14F3N3O4.C20H14N4O.C13H9N3O3.CH3Br.CH3I.Ar.Na.H/c28-27(29,30)39-23-5-1-19(2-6-23)17-38-22-7-3-21(4-8-22)35-18-33-24-15-20(16-32-25(24)35)26(36)31-9-10-34-11-13-37-14-12-34;22-21(23,24)31-17-5-1-13(2-6-17)11-30-16-7-3-15(4-8-16)27-12-26-18-9-14(20(28)29)10-25-19(18)27;1-21-16-11-19-20(22-12-16)24(14-23-19)17-7-9-18(10-8-17)25-13-15-5-3-2-4-6-15;17-10-3-1-9(2-4-10)16-7-15-11-5-8(13(18)19)6-14-12(11)16;2*1-2;;;/h1-8,15-16,18H,9-14,17H2,(H,31,36);1-10,12H,11H2,(H,28,29);2-12,14H,13H2;1-7,17H,(H,18,19);2*1H3;;;/q;;;;;;;+1;-1/i;;;;;1D;;;
InChIKeyUZIHGMZWSZDLAT-MQTHTPQTSA-N
MW1854.31 g/mol
LogP14.11
Rot. Bonds21

About sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid

sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 158999786) has the molecular formula C83H70ArBrF6IN15NaO12 and a molecular weight of 1854.31 g/mol. Its IUPAC name is sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Namesodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID158999786
Molecular FormulaC83H70ArBrF6IN15NaO12
Molecular Weight1854.31 g/mol
Exact Mass1852.30
IUPAC Namesodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCBr.O=C(NCCN1CCOCC1)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.O=C(O)c1cnc2c(c1)ncn2-c1ccc(O)cc1.O=C(O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.[2H]CI.[Ar].[C-]#[N+]c1cnc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C27H26F3N5O4.C21H14F3N3O4.C20H14N4O.C13H9N3O3.CH3Br.CH3I.Ar.Na.H/c28-27(29,30)39-23-5-1-19(2-6-23)17-38-22-7-3-21(4-8-22)35-18-33-24-15-20(16-32-25(24)35)26(36)31-9-10-34-11-13-37-14-12-34;22-21(23,24)31-17-5-1-13(2-6-17)11-30-16-7-3-15(4-8-16)27-12-26-18-9-14(20(28)29)10-25-19(18)27;1-21-16-11-19-20(22-12-16)24(14-23-19)17-7-9-18(10-8-17)25-13-15-5-3-2-4-6-15;17-10-3-1-9(2-4-10)16-7-15-11-5-8(13(18)19)6-14-12(11)16;2*1-2;;;/h1-8,15-16,18H,9-14,17H2,(H,31,36);1-10,12H,11H2,(H,28,29);2-12,14H,13H2;1-7,17H,(H,18,19);2*1H3;;;/q;;;;;;;+1;-1/i;;;;;1D;;;
InChIKeyUZIHGMZWSZDLAT-MQTHTPQTSA-N
XLogP14.11
TPSA309.75 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.31
LogP ≤ 514.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

1-[(5-cyano-2-methoxy-3-pyridinyl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;1-[1-[[5-(1,1-difluoroethyl)-2-methoxy-3-pyridinyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-4-fluorobutan-1-one;N-(2-methoxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide;1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 157593034
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
methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159752899
Ethyl 2-aminopyridine-3-carboxylate;ethyl imidazo[1,2-a]pyridine-8-carboxylate;ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate;[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanone;3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 161725388
molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide
CID 167627921
6-[[9-ethyl-2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-methylhexanamide;4-[[[9-ethyl-2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]methyl]-N-methylbenzamide;3-[9-ethyl-8-[[methyl-[[4-[(E)-3-(methylamino)-3-oxoprop-1-enyl]phenyl]methyl]amino]methyl]-6-morpholin-4-ylpurin-2-yl]benzamide;(E)-3-[4-[[[9-ethyl-6-morpholin-4-yl-2-[3-(2-oxopropyl)phenyl]purin-8-yl]methyl-methylamino]methyl]phenyl]-N-methylprop-2-enamide
CID 157932265
2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 158027990
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-6-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-imidazo[1,5-a]pyridin-8-ylethenamine;(2R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine;methane
CID 160311115
CID 160996477
CID 160996477
2-amino-N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 161388958
2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 161947262
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-6-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-[(2R)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162175284

Frequently Asked Questions

What is the IUPAC name of sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid (CID 158999786) is sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid is CBr.O=C(NCCN1CCOCC1)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.O=C(O)c1cnc2c(c1)ncn2-c1ccc(O)cc1.O=C(O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.[2H]CI.[Ar].[C-]#[N+]c1cnc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is UZIHGMZWSZDLAT-MQTHTPQTSA-N. The full InChI is InChI=1S/C27H26F3N5O4.C21H14F3N3O4.C20H14N4O.C13H9N3O3.CH3Br.CH3I.Ar.Na.H/c28-27(29,30)39-23-5-1-19(2-6-23)17-38-22-7-3-21(4-8-22)35-18-33-24-15-20(16-32-25(24)35)26(36)31-9-10-34-11-13-37-14-12-34;22-21(23,24)31-17-5-1-13(2-6-17)11-30-16-7-3-15(4-8-16)27-12-26-18-9-14(20(28)29)10-25-19(18)27;1-21-16-11-19-20(22-12-16)24(14-23-19)17-7-9-18(10-8-17)25-13-15-5-3-2-4-6-15;17-10-3-1-9(2-4-10)16-7-15-11-5-8(13(18)19)6-14-12(11)16;2*1-2;;;/h1-8,15-16,18H,9-14,17H2,(H,31,36);1-10,12H,11H2,(H,28,29);2-12,14H,13H2;1-7,17H,(H,18,19);2*1H3;;;/q;;;;;;;+1;-1/i;;;;;1D;;;.
What are the key properties of sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 1854.31 g/mol, XLogP of 14.11, 21 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 158999786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).