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

C98H71F14N33O17 — CID 157102397

IUPACN-(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
SMILESCCOC(=O)c1c(F)cc(F)c(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.CCOC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.CN(O)C(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nc(C2CC2)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Nc1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=C(Nc1cc(F)c(OC(F)(F)F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C18H15FN6O3.C17H12F3N5O3.C17H13F2N5O3.C16H9F4N5O4.C16H12F2N6O3.C14H10F2N6O/c1-28-18(27)16-13(8-11(19)15(22-16)10-2-3-10)21-17(26)12-4-5-14(24-23-12)25-7-6-20-9-25;1-2-28-17(27)13-9(18)7-10(19)14(20)15(13)22-16(26)11-3-4-12(24-23-11)25-6-5-21-8-25;1-2-27-17(26)14-10(18)3-4-11(19)15(14)21-16(25)12-5-6-13(23-22-12)24-8-7-20-9-24;17-9-6-11(8(15(27)28)5-12(9)29-16(18,19)20)22-14(26)10-1-2-13(24-23-10)25-4-3-21-7-25;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;15-8-5-10(17)12(6-9(8)16)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h4-10H,2-3H2,1H3,(H,21,26);3-8H,2H2,1H3,(H,22,26);3-9H,2H2,1H3,(H,21,25);1-7H,(H,22,26)(H,27,28);2-8,27H,1H3,(H,20,25);1-7H,17H2,(H,19,23)
InChIKeyAFXJDAHUVZHNDZ-UHFFFAOYSA-N
MW2248.83 g/mol
LogP13.07
Rot. Bonds27

About 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

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 (PubChem CID 157102397) has the molecular formula C98H71F14N33O17 and a molecular weight of 2248.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157102397
Molecular FormulaC98H71F14N33O17
Molecular Weight2248.83 g/mol
Exact Mass2247.55
IUPAC NameN-(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
SMILESCCOC(=O)c1c(F)cc(F)c(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.CCOC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.CN(O)C(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nc(C2CC2)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Nc1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=C(Nc1cc(F)c(OC(F)(F)F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C18H15FN6O3.C17H12F3N5O3.C17H13F2N5O3.C16H9F4N5O4.C16H12F2N6O3.C14H10F2N6O/c1-28-18(27)16-13(8-11(19)15(22-16)10-2-3-10)21-17(26)12-4-5-14(24-23-12)25-7-6-20-9-25;1-2-28-17(27)13-9(18)7-10(19)14(20)15(13)22-16(26)11-3-4-12(24-23-11)25-6-5-21-8-25;1-2-27-17(26)14-10(18)3-4-11(19)15(14)21-16(25)12-5-6-13(23-22-12)24-8-7-20-9-24;17-9-6-11(8(15(27)28)5-12(9)29-16(18,19)20)22-14(26)10-1-2-13(24-23-10)25-4-3-21-7-25;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;15-8-5-10(17)12(6-9(8)16)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h4-10H,2-3H2,1H3,(H,21,26);3-8H,2H2,1H3,(H,22,26);3-9H,2H2,1H3,(H,21,25);1-7H,(H,22,26)(H,27,28);2-8,27H,1H3,(H,20,25);1-7H,17H2,(H,19,23)
InChIKeyAFXJDAHUVZHNDZ-UHFFFAOYSA-N
XLogP13.07
TPSA641.08 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002248.83
LogP ≤ 513.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 157392526
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
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
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
Benzyl 5-(1-amino-2-methylindolizine-3-carbonyl)-2-[(2,2,2-trifluoroacetyl)amino]benzoate;3-[2-[2-[[2-(3-carboxyphenoxy)acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid;methane;methyl 2-amino-5-(1-aminoimidazo[1,5-a]pyridine-3-carbonyl)benzoate;methyl 2-amino-5-[1-[[3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoyl]amino]imidazo[1,5-a]pyridine-3-carbonyl]benzoate;3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid
CID 159240990
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
1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide
CID 159936461
2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-methoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 160137696
3-methoxy-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;3-methoxy-N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;methyl 4-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]butanoate;N-(5-oxohexyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(2-propoxyethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide
CID 160181109
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]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)pyridine-2-carboxylate
CID 160386410

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c(F)cc(F)c(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.CCOC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.CN(O)C(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nc(C2CC2)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Nc1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=C(Nc1cc(F)c(OC(F)(F)F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of 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?
The InChIKey is AFXJDAHUVZHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O3.C17H12F3N5O3.C17H13F2N5O3.C16H9F4N5O4.C16H12F2N6O3.C14H10F2N6O/c1-28-18(27)16-13(8-11(19)15(22-16)10-2-3-10)21-17(26)12-4-5-14(24-23-12)25-7-6-20-9-25;1-2-28-17(27)13-9(18)7-10(19)14(20)15(13)22-16(26)11-3-4-12(24-23-11)25-6-5-21-8-25;1-2-27-17(26)14-10(18)3-4-11(19)15(14)21-16(25)12-5-6-13(23-22-12)24-8-7-20-9-24;17-9-6-11(8(15(27)28)5-12(9)29-16(18,19)20)22-14(26)10-1-2-13(24-23-10)25-4-3-21-7-25;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;15-8-5-10(17)12(6-9(8)16)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h4-10H,2-3H2,1H3,(H,21,26);3-8H,2H2,1H3,(H,22,26);3-9H,2H2,1H3,(H,21,25);1-7H,(H,22,26)(H,27,28);2-8,27H,1H3,(H,20,25);1-7H,17H2,(H,19,23).
What are the key properties of 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?
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 has a molecular weight of 2248.83 g/mol, XLogP of 13.07, 27 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157102397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).