N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate

C129H98Cl2F6N44O24 — CID 162131730

IUPACN-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate
SMILESCCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)C[C@@H](C)O[C@H]1C.COC(=O)C1=C(NC(=O)c2ccc(-n3ccnc3)nn2)CC(C)(C)OC1.Cc1cc(C(N)=O)c(NC(=O)c2ccc(-n3ccnc3)nn2)cc1F.Cc1ccc2nc(-c3ccc(-n4ccnc4)nn3)oc(=O)c2n1.NC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=c1c2coc(-c3ccc(-n4ccnc4)nn3)nc-2cc2c1OCCO2.O=c1oc(-c2ccc(-n3ccnc3)nn2)nc2cc3c(nc12)OC(F)(F)O3.O=c1oc(-c2ccc(-n3ccnc3)nn2)nc2ccc(C(F)(F)F)nc12
InChIInChI=1S/C19H22N4O4.C17H11N5O4.C17H19N5O4.C16H13FN6O2.C15H10Cl2N6O2.C15H7F3N6O2.C15H6F2N6O4.C15H10N6O2/c1-4-26-19(25)18-13(3)27-12(2)9-14(18)10-16(24)15-5-6-17(22-21-15)23-8-7-20-11-23;23-15-10-8-26-17(19-12(10)7-13-16(15)25-6-5-24-13)11-1-2-14(21-20-11)22-4-3-18-9-22;1-17(2)8-13(11(9-26-17)16(24)25-3)19-15(23)12-4-5-14(21-20-12)22-7-6-18-10-22;1-9-6-10(15(18)24)13(7-11(9)17)20-16(25)12-2-3-14(22-21-12)23-5-4-19-8-23;16-9-5-8(14(18)24)12(6-10(9)17)20-15(25)11-1-2-13(22-21-11)23-4-3-19-7-23;16-15(17,18)10-3-1-8-12(21-10)14(25)26-13(20-8)9-2-4-11(23-22-9)24-6-5-19-7-24;16-15(17)26-9-5-8-11(20-13(9)27-15)14(24)25-12(19-8)7-1-2-10(22-21-7)23-4-3-18-6-23;1-9-2-3-10-13(17-9)15(22)23-14(18-10)11-4-5-12(20-19-11)21-7-6-16-8-21/h5-8,11-13H,4,9-10H2,1-3H3;1-4,7-9H,5-6H2;4-7,10H,8-9H2,1-3H3,(H,19,23);2-8H,1H3,(H2,18,24)(H,20,25);1-7H,(H2,18,24)(H,20,25);1-7H;1-6H;2-8H,1H3/t12-,13+;;;;;;;/m1......./s1
InChIKeyZITGGBJZSGTODN-OAHXJQJSSA-N
MW2833.38 g/mol
LogP13.97
Rot. Bonds26

About N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate

N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate (PubChem CID 162131730) has the molecular formula C129H98Cl2F6N44O24 and a molecular weight of 2833.38 g/mol. Its IUPAC name is N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate.

Molecular Properties

Compound NameN-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate
PubChem CID162131730
Molecular FormulaC129H98Cl2F6N44O24
Molecular Weight2833.38 g/mol
Exact Mass2830.71
IUPAC NameN-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate
SMILESCCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)C[C@@H](C)O[C@H]1C.COC(=O)C1=C(NC(=O)c2ccc(-n3ccnc3)nn2)CC(C)(C)OC1.Cc1cc(C(N)=O)c(NC(=O)c2ccc(-n3ccnc3)nn2)cc1F.Cc1ccc2nc(-c3ccc(-n4ccnc4)nn3)oc(=O)c2n1.NC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=c1c2coc(-c3ccc(-n4ccnc4)nn3)nc-2cc2c1OCCO2.O=c1oc(-c2ccc(-n3ccnc3)nn2)nc2cc3c(nc12)OC(F)(F)O3.O=c1oc(-c2ccc(-n3ccnc3)nn2)nc2ccc(C(F)(F)F)nc12
InChIInChI=1S/C19H22N4O4.C17H11N5O4.C17H19N5O4.C16H13FN6O2.C15H10Cl2N6O2.C15H7F3N6O2.C15H6F2N6O4.C15H10N6O2/c1-4-26-19(25)18-13(3)27-12(2)9-14(18)10-16(24)15-5-6-17(22-21-15)23-8-7-20-11-23;23-15-10-8-26-17(19-12(10)7-13-16(15)25-6-5-24-13)11-1-2-14(21-20-11)22-4-3-18-9-22;1-17(2)8-13(11(9-26-17)16(24)25-3)19-15(23)12-4-5-14(21-20-12)22-7-6-18-10-22;1-9-6-10(15(18)24)13(7-11(9)17)20-16(25)12-2-3-14(22-21-12)23-5-4-19-8-23;16-9-5-8(14(18)24)12(6-10(9)17)20-15(25)11-1-2-13(22-21-11)23-4-3-19-7-23;16-15(17,18)10-3-1-8-12(21-10)14(25)26-13(20-8)9-2-4-11(23-22-9)24-6-5-19-7-24;16-15(17)26-9-5-8-11(20-13(9)27-15)14(24)25-12(19-8)7-1-2-10(22-21-7)23-4-3-18-6-23;1-9-2-3-10-13(17-9)15(22)23-14(18-10)11-4-5-12(20-19-11)21-7-6-16-8-21/h5-8,11-13H,4,9-10H2,1-3H3;1-4,7-9H,5-6H2;4-7,10H,8-9H2,1-3H3,(H,19,23);2-8H,1H3,(H2,18,24)(H,20,25);1-7H,(H2,18,24)(H,20,25);1-7H;1-6H;2-8H,1H3/t12-,13+;;;;;;;/m1......./s1
InChIKeyZITGGBJZSGTODN-OAHXJQJSSA-N
XLogP13.97
TPSA858.40 Ų
H-Bond Donors5
H-Bond Acceptors63
Rotatable Bonds26
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002833.38
LogP ≤ 513.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1063

Analyze N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate with MolForge

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Related Compounds

4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 157724411
N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;2,2-difluoro-6-(6-imidazol-1-ylpyridazin-3-yl)-[1,3]dioxolo[4,5-g][3,1]benzoxazin-8-one;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-fluoro-5-hydroxy-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
CID 159890544
4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 160975533
N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;2,2-difluoro-6-(6-imidazol-1-ylpyridazin-3-yl)-[1,3]dioxolo[4,5-g][3,1]benzoxazin-8-one;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-fluoro-5-hydroxy-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(5-imidazol-1-ylpyridine-2-carbonyl)amino]benzoate
CID 161022729

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate?
The IUPAC name of N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate (CID 162131730) is N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate.
What is the SMILES notation for N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate?
The canonical SMILES for N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate is CCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)C[C@@H](C)O[C@H]1C.COC(=O)C1=C(NC(=O)c2ccc(-n3ccnc3)nn2)CC(C)(C)OC1.Cc1cc(C(N)=O)c(NC(=O)c2ccc(-n3ccnc3)nn2)cc1F.Cc1ccc2nc(-c3ccc(-n4ccnc4)nn3)oc(=O)c2n1.NC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=c1c2coc(-c3ccc(-n4ccnc4)nn3)nc-2cc2c1OCCO2.O=c1oc(-c2ccc(-n3ccnc3)nn2)nc2cc3c(nc12)OC(F)(F)O3.O=c1oc(-c2ccc(-n3ccnc3)nn2)nc2ccc(C(F)(F)F)nc12.
What is the InChIKey of N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate?
The InChIKey is ZITGGBJZSGTODN-OAHXJQJSSA-N. The full InChI is InChI=1S/C19H22N4O4.C17H11N5O4.C17H19N5O4.C16H13FN6O2.C15H10Cl2N6O2.C15H7F3N6O2.C15H6F2N6O4.C15H10N6O2/c1-4-26-19(25)18-13(3)27-12(2)9-14(18)10-16(24)15-5-6-17(22-21-15)23-8-7-20-11-23;23-15-10-8-26-17(19-12(10)7-13-16(15)25-6-5-24-13)11-1-2-14(21-20-11)22-4-3-18-9-22;1-17(2)8-13(11(9-26-17)16(24)25-3)19-15(23)12-4-5-14(21-20-12)22-7-6-18-10-22;1-9-6-10(15(18)24)13(7-11(9)17)20-16(25)12-2-3-14(22-21-12)23-5-4-19-8-23;16-9-5-8(14(18)24)12(6-10(9)17)20-15(25)11-1-2-13(22-21-11)23-4-3-19-7-23;16-15(17,18)10-3-1-8-12(21-10)14(25)26-13(20-8)9-2-4-11(23-22-9)24-6-5-19-7-24;16-15(17)26-9-5-8-11(20-13(9)27-15)14(24)25-12(19-8)7-1-2-10(22-21-7)23-4-3-18-6-23;1-9-2-3-10-13(17-9)15(22)23-14(18-10)11-4-5-12(20-19-11)21-7-6-16-8-21/h5-8,11-13H,4,9-10H2,1-3H3;1-4,7-9H,5-6H2;4-7,10H,8-9H2,1-3H3,(H,19,23);2-8H,1H3,(H2,18,24)(H,20,25);1-7H,(H2,18,24)(H,20,25);1-7H;1-6H;2-8H,1H3/t12-,13+;;;;;;;/m1......./s1.
What are the key properties of N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate?
N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate has a molecular weight of 2833.38 g/mol, XLogP of 13.97, 26 rotatable bonds, 5 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4,5-dichlorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-5-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;5,5-difluoro-11-(6-imidazol-1-ylpyridazin-3-yl)-4,6,12-trioxa-2,10-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-13-one;ethyl (2R,6S)-4-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-2,6-dimethyl-3,6-dihydro-2H-pyran-5-carboxylate;2-(6-imidazol-1-ylpyridazin-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-5-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-methylpyrido[3,2-d][1,3]oxazin-4-one;2-(6-imidazol-1-ylpyridazin-3-yl)-6-(trifluoromethyl)pyrido[3,2-d][1,3]oxazin-4-one;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6,6-dimethyl-2,5-dihydropyran-3-carboxylate is sourced from PubChem (CID 162131730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).