6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine

C99H82F14N22O8 — CID 161133385

IUPAC6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine
SMILESCCc1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1Cc1ccccc1.COc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1.COc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1.Cc1nn(C)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1noc(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H22F3N5.C21H15F3N4O3.C21H16F2N4O4.C17H16F3N5.C16H13F3N4O/c1-3-22-29-16(2)23(32(22)15-17-7-5-4-6-8-17)20-13-28-14-21(31-20)30-19-11-9-18(10-12-19)24(25,26)27;1-31-14-10-15(19-18(20(29)30)27-17-4-2-3-9-28(17)19)26-16(11-14)25-13-7-5-12(6-8-13)21(22,23)24;1-30-14-10-15(19-18(20(28)29)26-17-4-2-3-9-27(17)19)25-16(11-14)24-12-5-7-13(8-6-12)31-21(22)23;1-10-16(11(2)25(3)24-10)14-8-21-9-15(23-14)22-13-6-4-12(5-7-13)17(18,19)20;1-9-15(10(2)24-23-9)13-7-20-8-14(22-13)21-12-5-3-11(4-6-12)16(17,18)19/h4-14H,3,15H2,1-2H3,(H,30,31);2-11H,1H3,(H,25,26)(H,29,30);2-11,21H,1H3,(H,24,25)(H,28,29);4-9H,1-3H3,(H,22,23);3-8H,1-2H3,(H,21,22)
InChIKeyUMMIIQXTMHOGRC-UHFFFAOYSA-N
MW1973.86 g/mol
LogP24.10
Rot. Bonds24

About 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine

6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 161133385) has the molecular formula C99H82F14N22O8 and a molecular weight of 1973.86 g/mol. Its IUPAC name is 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine
PubChem CID161133385
Molecular FormulaC99H82F14N22O8
Molecular Weight1973.86 g/mol
Exact Mass1972.65
IUPAC Name6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine
SMILESCCc1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1Cc1ccccc1.COc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1.COc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1.Cc1nn(C)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1noc(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H22F3N5.C21H15F3N4O3.C21H16F2N4O4.C17H16F3N5.C16H13F3N4O/c1-3-22-29-16(2)23(32(22)15-17-7-5-4-6-8-17)20-13-28-14-21(31-20)30-19-11-9-18(10-12-19)24(25,26)27;1-31-14-10-15(19-18(20(29)30)27-17-4-2-3-9-28(17)19)26-16(11-14)25-13-7-5-12(6-8-13)21(22,23)24;1-30-14-10-15(19-18(20(28)29)26-17-4-2-3-9-27(17)19)25-16(11-14)24-12-5-7-13(8-6-12)31-21(22)23;1-10-16(11(2)25(3)24-10)14-8-21-9-15(23-14)22-13-6-4-12(5-7-13)17(18,19)20;1-9-15(10(2)24-23-9)13-7-20-8-14(22-13)21-12-5-3-11(4-6-12)16(17,18)19/h4-14H,3,15H2,1-2H3,(H,30,31);2-11H,1H3,(H,25,26)(H,29,30);2-11,21H,1H3,(H,24,25)(H,28,29);4-9H,1-3H3,(H,22,23);3-8H,1-2H3,(H,21,22)
InChIKeyUMMIIQXTMHOGRC-UHFFFAOYSA-N
XLogP24.10
TPSA361.83 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.86
LogP ≤ 524.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine with MolForge

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Related Compounds

1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
CID 157196375
1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-4-methoxy-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine
CID 158064125
5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone
CID 158555735
2-[2-(difluoromethoxy)-3-pyridinyl]-4-(methylamino)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[8-oxo-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-7-yl]propanoic acid
CID 158637672
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4S)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one
CID 158979127
3-[5-Methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;3-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 159115185
1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 159684035
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 159737402
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-[3-[1-(Difluoromethyl)pyrazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid
CID 160653452
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol
CID 160952792

Frequently Asked Questions

What is the IUPAC name of 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine (CID 161133385) is 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine is CCc1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1Cc1ccccc1.COc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1.COc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1.Cc1nn(C)c(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1noc(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is UMMIIQXTMHOGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5.C21H15F3N4O3.C21H16F2N4O4.C17H16F3N5.C16H13F3N4O/c1-3-22-29-16(2)23(32(22)15-17-7-5-4-6-8-17)20-13-28-14-21(31-20)30-19-11-9-18(10-12-19)24(25,26)27;1-31-14-10-15(19-18(20(29)30)27-17-4-2-3-9-28(17)19)26-16(11-14)25-13-7-5-12(6-8-13)21(22,23)24;1-30-14-10-15(19-18(20(28)29)26-17-4-2-3-9-27(17)19)25-16(11-14)24-12-5-7-13(8-6-12)31-21(22)23;1-10-16(11(2)25(3)24-10)14-8-21-9-15(23-14)22-13-6-4-12(5-7-13)17(18,19)20;1-9-15(10(2)24-23-9)13-7-20-8-14(22-13)21-12-5-3-11(4-6-12)16(17,18)19/h4-14H,3,15H2,1-2H3,(H,30,31);2-11H,1H3,(H,25,26)(H,29,30);2-11,21H,1H3,(H,24,25)(H,28,29);4-9H,1-3H3,(H,22,23);3-8H,1-2H3,(H,21,22).
What are the key properties of 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine?
6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 1973.86 g/mol, XLogP of 24.10, 24 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 161133385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).