lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride

C136H134ClF4LiN38O14 — CID 157169413

IUPAClithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride
SMILESC.CCOC(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cn[nH]c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cnn([11CH3])c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CNCCF.C[11CH3].Cl.Nc1ccn2nc(-c3ccccc3)nc2c1.O.O=C(O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.[Li+].[OH-]
InChIInChI=1S/C27H24FN7O2.C26H22N6O3.C24H18N6O3.C21H20FN7O2.C20H18FN7O2.C12H10N4.C3H8FN.C2H6.CH4.ClH.Li.2H2O/c1-33(15-13-28)27(37)22-17-29-35(18-19-8-4-2-5-9-19)24(22)26(36)30-21-12-14-34-23(16-21)31-25(32-34)20-10-6-3-7-11-20;1-2-35-26(34)21-16-27-32(17-18-9-5-3-6-10-18)23(21)25(33)28-20-13-14-31-22(15-20)29-24(30-31)19-11-7-4-8-12-19;31-23(21-19(24(32)33)14-25-30(21)15-16-7-3-1-4-8-16)26-18-11-12-29-20(13-18)27-22(28-29)17-9-5-2-6-10-17;1-27(11-9-22)21(31)16-13-23-28(2)18(16)20(30)24-15-8-10-29-17(12-15)25-19(26-29)14-6-4-3-5-7-14;1-27(10-8-21)20(30)15-12-22-25-17(15)19(29)23-14-7-9-28-16(11-14)24-18(26-28)13-5-3-2-4-6-13;13-10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;1-5-3-2-4;1-2;;;;;/h2-12,14,16-17H,13,15,18H2,1H3,(H,30,36);3-16H,2,17H2,1H3,(H,28,33);1-14H,15H2,(H,26,31)(H,32,33);3-8,10,12-13H,9,11H2,1-2H3,(H,24,30);2-7,9,11-12H,8,10H2,1H3,(H,22,25)(H,23,29);1-8H,13H2;5H,2-3H2,1H3;1-2H3;1H4;1H;;2*1H2/q;;;;;;;;;;+1;;/p-1/i;;;2-1;;;;1-1;;;;;
InChIKeyUOJBPMHFUTWGTJ-OIGYWRDESA-M
MW2641.21 g/mol
LogP16.67
Rot. Bonds36

About lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride

lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride (PubChem CID 157169413) has the molecular formula C136H134ClF4LiN38O14 and a molecular weight of 2641.21 g/mol. Its IUPAC name is lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride.

Molecular Properties

Compound Namelithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride
PubChem CID157169413
Molecular FormulaC136H134ClF4LiN38O14
Molecular Weight2641.21 g/mol
Exact Mass2639.10
IUPAC Namelithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride
SMILESC.CCOC(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cn[nH]c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cnn([11CH3])c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CNCCF.C[11CH3].Cl.Nc1ccn2nc(-c3ccccc3)nc2c1.O.O=C(O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.[Li+].[OH-]
InChIInChI=1S/C27H24FN7O2.C26H22N6O3.C24H18N6O3.C21H20FN7O2.C20H18FN7O2.C12H10N4.C3H8FN.C2H6.CH4.ClH.Li.2H2O/c1-33(15-13-28)27(37)22-17-29-35(18-19-8-4-2-5-9-19)24(22)26(36)30-21-12-14-34-23(16-21)31-25(32-34)20-10-6-3-7-11-20;1-2-35-26(34)21-16-27-32(17-18-9-5-3-6-10-18)23(21)25(33)28-20-13-14-31-22(15-20)29-24(30-31)19-11-7-4-8-12-19;31-23(21-19(24(32)33)14-25-30(21)15-16-7-3-1-4-8-16)26-18-11-12-29-20(13-18)27-22(28-29)17-9-5-2-6-10-17;1-27(11-9-22)21(31)16-13-23-28(2)18(16)20(30)24-15-8-10-29-17(12-15)25-19(26-29)14-6-4-3-5-7-14;1-27(10-8-21)20(30)15-12-22-25-17(15)19(29)23-14-7-9-28-16(11-14)24-18(26-28)13-5-3-2-4-6-13;13-10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;1-5-3-2-4;1-2;;;;;/h2-12,14,16-17H,13,15,18H2,1H3,(H,30,36);3-16H,2,17H2,1H3,(H,28,33);1-14H,15H2,(H,26,31)(H,32,33);3-8,10,12-13H,9,11H2,1-2H3,(H,24,30);2-7,9,11-12H,8,10H2,1H3,(H,22,25)(H,23,29);1-8H,13H2;5H,2-3H2,1H3;1-2H3;1H4;1H;;2*1H2/q;;;;;;;;;;+1;;/p-1/i;;;2-1;;;;1-1;;;;;
InChIKeyUOJBPMHFUTWGTJ-OIGYWRDESA-M
XLogP16.67
TPSA650.68 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002641.21
LogP ≤ 516.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Analyze lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylic acid;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;ethyl 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylate
CID 157868678
2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;5-bromo-1H-pyrazol-3-amine;N,N-dihydroxy-3-(trifluoromethyl)aniline;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate;ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxopentanoate;7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 157877541
[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1H-imidazole-2-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(4H-imidazole-2-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone
CID 158098708
tert-butyl N-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-N-methylcarbamate;ethyl (2R,3R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;ethyl (2R,3S)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperidine-3-carboxylate;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 158295166
2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylic acid;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;ethyl 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylate
CID 158738681
sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide
CID 159774115
tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]ethyl]piperidine-1-carboxylate;7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;7-methyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;pyridine-3-carbaldehyde
CID 159996457
Tert-butyl 2-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetate;bis(2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine);2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]ethanone;methyl 2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 160037266
[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1H-imidazole-2-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4H-imidazole-2-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone
CID 160108549
[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 160209753
ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate;[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone;2-methyl-1-[8-[2-(4-phenylpiperidin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole;molecular iodine;5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid;dihydrochloride
CID 160282030
3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-2-one;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1H-imidazole-2-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone
CID 160290311

Frequently Asked Questions

What is the IUPAC name of lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride?
The IUPAC name of lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride (CID 157169413) is lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride.
What is the SMILES notation for lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride?
The canonical SMILES for lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride is C.CCOC(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cn[nH]c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CN(CCF)C(=O)c1cnn([11CH3])c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.CNCCF.C[11CH3].Cl.Nc1ccn2nc(-c3ccccc3)nc2c1.O.O=C(O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.[Li+].[OH-].
What is the InChIKey of lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride?
The InChIKey is UOJBPMHFUTWGTJ-OIGYWRDESA-M. The full InChI is InChI=1S/C27H24FN7O2.C26H22N6O3.C24H18N6O3.C21H20FN7O2.C20H18FN7O2.C12H10N4.C3H8FN.C2H6.CH4.ClH.Li.2H2O/c1-33(15-13-28)27(37)22-17-29-35(18-19-8-4-2-5-9-19)24(22)26(36)30-21-12-14-34-23(16-21)31-25(32-34)20-10-6-3-7-11-20;1-2-35-26(34)21-16-27-32(17-18-9-5-3-6-10-18)23(21)25(33)28-20-13-14-31-22(15-20)29-24(30-31)19-11-7-4-8-12-19;31-23(21-19(24(32)33)14-25-30(21)15-16-7-3-1-4-8-16)26-18-11-12-29-20(13-18)27-22(28-29)17-9-5-2-6-10-17;1-27(11-9-22)21(31)16-13-23-28(2)18(16)20(30)24-15-8-10-29-17(12-15)25-19(26-29)14-6-4-3-5-7-14;1-27(10-8-21)20(30)15-12-22-25-17(15)19(29)23-14-7-9-28-16(11-14)24-18(26-28)13-5-3-2-4-6-13;13-10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9;1-5-3-2-4;1-2;;;;;/h2-12,14,16-17H,13,15,18H2,1H3,(H,30,36);3-16H,2,17H2,1H3,(H,28,33);1-14H,15H2,(H,26,31)(H,32,33);3-8,10,12-13H,9,11H2,1-2H3,(H,24,30);2-7,9,11-12H,8,10H2,1H3,(H,22,25)(H,23,29);1-8H,13H2;5H,2-3H2,1H3;1-2H3;1H4;1H;;2*1H2/q;;;;;;;;;;+1;;/p-1/i;;;2-1;;;;1-1;;;;;.
What are the key properties of lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride?
lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride has a molecular weight of 2641.21 g/mol, XLogP of 16.67, 36 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 157169413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).