N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate

C103H78F6N34O19 — CID 161356203

IUPACN-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.CN(O)C(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)c(C)nc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(=O)O)c1.O=C(Nc1cc2ccccc2nc1C(=O)O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C21H17N5O3.C18H12N6O3.C16H11F3N6O3.C16H12F2N6O3.C16H13FN6O3.C16H13N5O4/c1-2-29-21(28)16-11-14-5-3-4-6-15(14)12-18(16)23-20(27)17-7-8-19(25-24-17)26-10-9-22-13-26;25-17(13-5-6-15(23-22-13)24-8-7-19-10-24)21-14-9-11-3-1-2-4-12(11)20-16(14)18(26)27;1-28-15(27)13-11(6-9(7-21-13)16(17,18)19)22-14(26)10-2-3-12(24-23-10)25-5-4-20-8-25;1-23(27)16(26)9-6-10(17)11(18)7-13(9)20-15(25)12-2-3-14(22-21-12)24-5-4-19-8-24;1-9-11(17)7-10(16(25)26-2)14(19-9)20-15(24)12-3-4-13(22-21-12)23-6-5-18-8-23;1-25-10-2-3-12(11(8-10)16(23)24)18-15(22)13-4-5-14(20-19-13)21-7-6-17-9-21/h3-13H,2H2,1H3,(H,23,27);1-10H,(H,21,25)(H,26,27);2-8H,1H3,(H,22,26);2-8,27H,1H3,(H,20,25);3-8H,1-2H3,(H,19,20,24);2-9H,1H3,(H,18,22)(H,23,24)
InChIKeyVOORLKRINPELBD-UHFFFAOYSA-N
MW2209.96 g/mol
LogP12.34
Rot. Bonds26

About N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate

N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 161356203) has the molecular formula C103H78F6N34O19 and a molecular weight of 2209.96 g/mol. Its IUPAC name is N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound NameN-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID161356203
Molecular FormulaC103H78F6N34O19
Molecular Weight2209.96 g/mol
Exact Mass2208.61
IUPAC NameN-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.CN(O)C(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)c(C)nc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(=O)O)c1.O=C(Nc1cc2ccccc2nc1C(=O)O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C21H17N5O3.C18H12N6O3.C16H11F3N6O3.C16H12F2N6O3.C16H13FN6O3.C16H13N5O4/c1-2-29-21(28)16-11-14-5-3-4-6-15(14)12-18(16)23-20(27)17-7-8-19(25-24-17)26-10-9-22-13-26;25-17(13-5-6-15(23-22-13)24-8-7-19-10-24)21-14-9-11-3-1-2-4-12(11)20-16(14)18(26)27;1-28-15(27)13-11(6-9(7-21-13)16(17,18)19)22-14(26)10-2-3-12(24-23-10)25-5-4-20-8-25;1-23(27)16(26)9-6-10(17)11(18)7-13(9)20-15(25)12-2-3-14(22-21-12)24-5-4-19-8-24;1-9-11(17)7-10(16(25)26-2)14(19-9)20-15(24)12-3-4-13(22-21-12)23-6-5-18-8-23;1-25-10-2-3-12(11(8-10)16(23)24)18-15(22)13-4-5-14(20-19-13)21-7-6-17-9-21/h3-13H,2H2,1H3,(H,23,27);1-10H,(H,21,25)(H,26,27);2-8H,1H3,(H,22,26);2-8,27H,1H3,(H,20,25);3-8H,1-2H3,(H,19,20,24);2-9H,1H3,(H,18,22)(H,23,24)
InChIKeyVOORLKRINPELBD-UHFFFAOYSA-N
XLogP12.34
TPSA678.14 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds26
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002209.96
LogP ≤ 512.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate with MolForge

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Related Compounds

N-(2-amino-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 3,4,6-trifluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethoxy)benzoic acid;methyl 6-cyclopropyl-5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate
CID 157102397
7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157204161
ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 157212075
5-Chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;5-cyclopropyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;5-(difluoromethoxy)-4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-(trifluoromethyl)benzoic acid
CID 157527933
5-ethyl-3-[2-methyl-6-[1-[3-[4-[4-methyl-4-[2-[4-nitro-3-(trifluoromethyl)phenyl]acetyl]-2-oxoimidazolidin-1-yl]phenyl]propyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[3-[2-[3-[5-(5-ethyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)-6-methyl-2-pyridinyl]-1,2,4-triazol-1-yl]ethoxy]propyl]-1-(4-fluorophenyl)-4-methyl-N-(3-methyl-4-nitrophenyl)-2-oxoimidazolidine-4-carboxamide;6-fluoro-2-[4-[5-[2-[4-[[4-hydroxy-4-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]piperidin-1-yl]methyl]phenoxy]ethoxy]-3-oxopentyl]phenyl]-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[5-[2-[4-[[4-hydroxy-4-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]piperidin-1-yl]methyl]phenoxy]ethoxy]pentyl]phenyl]-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 157566217
Ethyl 2-chloro-5-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]pyrimidine-4-carboxylate;methyl 5-cyano-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-fluoro-6-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methoxypyridine-2-carboxylate;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethoxy)benzoate
CID 158120868
5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;5-cyclopropyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;bis(N-[4,5-difluoro-2-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide);5-(difluoromethoxy)-4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-(trifluoromethyl)benzoic acid
CID 158435323
(5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione
CID 158852495
6,7-Difluoro-2-(6-imidazol-1-ylpyridazin-3-yl)-3,1-benzoxazin-4-one;ethyl 3-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-6-methylpyridine-2-carboxylate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-(trifluoromethyl)benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;propan-2-yl 5-fluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate
CID 158918097
3-(cyclohexen-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[4-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;methyl 3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoate;3-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-pyrimidin-5-ylbenzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
CID 159277482
Ethyl 2-chloro-5-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]pyrimidine-4-carboxylate;methyl 5-cyano-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-fluoro-6-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,4-dimethylcyclopentene-1-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methoxypyridine-2-carboxylate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethoxy)benzoate
CID 159327731
7-Fluoro-2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethoxy)-3,1-benzoxazin-4-one;4-hydroxybutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 6-bromo-5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-(trifluoromethoxy)pyridine-2-carboxylate;methyl 6-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylindazole-5-carboxylate
CID 160051538

Frequently Asked Questions

What is the IUPAC name of N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate (CID 161356203) is N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.CN(O)C(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)c(C)nc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(=O)O)c1.O=C(Nc1cc2ccccc2nc1C(=O)O)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is VOORLKRINPELBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3.C18H12N6O3.C16H11F3N6O3.C16H12F2N6O3.C16H13FN6O3.C16H13N5O4/c1-2-29-21(28)16-11-14-5-3-4-6-15(14)12-18(16)23-20(27)17-7-8-19(25-24-17)26-10-9-22-13-26;25-17(13-5-6-15(23-22-13)24-8-7-19-10-24)21-14-9-11-3-1-2-4-12(11)20-16(14)18(26)27;1-28-15(27)13-11(6-9(7-21-13)16(17,18)19)22-14(26)10-2-3-12(24-23-10)25-5-4-20-8-25;1-23(27)16(26)9-6-10(17)11(18)7-13(9)20-15(25)12-2-3-14(22-21-12)24-5-4-19-8-24;1-9-11(17)7-10(16(25)26-2)14(19-9)20-15(24)12-3-4-13(22-21-12)23-6-5-18-8-23;1-25-10-2-3-12(11(8-10)16(23)24)18-15(22)13-4-5-14(20-19-13)21-7-6-17-9-21/h3-13H,2H2,1H3,(H,23,27);1-10H,(H,21,25)(H,26,27);2-8H,1H3,(H,22,26);2-8,27H,1H3,(H,20,25);3-8H,1-2H3,(H,19,20,24);2-9H,1H3,(H,18,22)(H,23,24).
What are the key properties of N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate?
N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 2209.96 g/mol, XLogP of 12.34, 26 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]quinoline-2-carboxylic acid;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 161356203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).