cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate

C100H82F2N34O17 — CID 158107375

IUPACcyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(C)c(C)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccncc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncccc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1noc(-c2ccccc2NC(=O)c2ccc(-n3ccnc3)nn2)n1.O=C(Nc1ccccc1C(=O)OC1CCC1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C19H17N5O3.C18H17N5O3.C17H13N7O2.C16H11F2N5O3.2C15H12N6O3/c25-18(16-8-9-17(23-22-16)24-11-10-20-12-24)21-15-7-2-1-6-14(15)19(26)27-13-4-3-5-13;1-11-4-5-13(18(25)26-3)16(12(11)2)20-17(24)14-6-7-15(22-21-14)23-9-8-19-10-23;1-11-19-17(26-23-11)12-4-2-3-5-13(12)20-16(25)14-6-7-15(22-21-14)24-9-8-18-10-24;1-26-16(25)13-9(17)2-3-10(18)14(13)20-15(24)11-4-5-12(22-21-11)23-7-6-19-8-23;1-24-15(23)10-4-5-16-8-12(10)18-14(22)11-2-3-13(20-19-11)21-7-6-17-9-21;1-24-15(23)13-10(3-2-6-17-13)18-14(22)11-4-5-12(20-19-11)21-8-7-16-9-21/h1-2,6-13H,3-5H2,(H,21,25);4-10H,1-3H3,(H,20,24);2-10H,1H3,(H,20,25);2-8H,1H3,(H,20,24);2*2-9H,1H3,(H,18,22)
InChIKeyFPZVEBQVNSHCTJ-UHFFFAOYSA-N
MW2069.97 g/mol
LogP11.39
Rot. Bonds25

About cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate

cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate (PubChem CID 158107375) has the molecular formula C100H82F2N34O17 and a molecular weight of 2069.97 g/mol. Its IUPAC name is cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namecyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
PubChem CID158107375
Molecular FormulaC100H82F2N34O17
Molecular Weight2069.97 g/mol
Exact Mass2068.66
IUPAC Namecyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(C)c(C)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccncc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncccc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1noc(-c2ccccc2NC(=O)c2ccc(-n3ccnc3)nn2)n1.O=C(Nc1ccccc1C(=O)OC1CCC1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C19H17N5O3.C18H17N5O3.C17H13N7O2.C16H11F2N5O3.2C15H12N6O3/c25-18(16-8-9-17(23-22-16)24-11-10-20-12-24)21-15-7-2-1-6-14(15)19(26)27-13-4-3-5-13;1-11-4-5-13(18(25)26-3)16(12(11)2)20-17(24)14-6-7-15(22-21-14)23-9-8-19-10-23;1-11-19-17(26-23-11)12-4-2-3-5-13(12)20-16(25)14-6-7-15(22-21-14)24-9-8-18-10-24;1-26-16(25)13-9(17)2-3-10(18)14(13)20-15(24)11-4-5-12(22-21-11)23-7-6-19-8-23;1-24-15(23)10-4-5-16-8-12(10)18-14(22)11-2-3-13(20-19-11)21-7-6-17-9-21;1-24-15(23)13-10(3-2-6-17-13)18-14(22)11-4-5-12(20-19-11)21-8-7-16-9-21/h1-2,6-13H,3-5H2,(H,21,25);4-10H,1-3H3,(H,20,24);2-10H,1H3,(H,20,25);2-8H,1H3,(H,20,24);2*2-9H,1H3,(H,18,22)
InChIKeyFPZVEBQVNSHCTJ-UHFFFAOYSA-N
XLogP11.39
TPSA632.40 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002069.97
LogP ≤ 511.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate with MolForge

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Related Compounds

N-[5-[2-[3-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-4-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-[[1-[2-(1-phenylethoxy)ethyl]imidazo[4,5-c]pyridine-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[2-(pyridin-4-ylmethoxy)ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 154991766
4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 157202702
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
CID 157501709
CID 157501709
2-(Diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoate;methyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;propan-2-yl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-4-methylbenzoate
CID 158032382
5-amino-1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;2-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 158564736
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
2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2,7-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);3-[[3-[(3R,5R)-5-(3H-isoindol-5-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(1-methylindazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyridazin-4-one
CID 159107678
CID 159296733
CID 159296733
2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-amino-1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;5-amino-1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;2-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2,7-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 159369586
2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2,7-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);3-[[3-[(3R,5R)-5-(1H-indol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(1-methylindol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one
CID 159615213
5-Ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,4-dimethylcyclopentene-1-carboxylate
CID 160222628

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
The IUPAC name of cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate (CID 158107375) is cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate is COC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(C)c(C)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccncc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncccc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1noc(-c2ccccc2NC(=O)c2ccc(-n3ccnc3)nn2)n1.O=C(Nc1ccccc1C(=O)OC1CCC1)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
The InChIKey is FPZVEBQVNSHCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3.C18H17N5O3.C17H13N7O2.C16H11F2N5O3.2C15H12N6O3/c25-18(16-8-9-17(23-22-16)24-11-10-20-12-24)21-15-7-2-1-6-14(15)19(26)27-13-4-3-5-13;1-11-4-5-13(18(25)26-3)16(12(11)2)20-17(24)14-6-7-15(22-21-14)23-9-8-19-10-23;1-11-19-17(26-23-11)12-4-2-3-5-13(12)20-16(25)14-6-7-15(22-21-14)24-9-8-18-10-24;1-26-16(25)13-9(17)2-3-10(18)14(13)20-15(24)11-4-5-12(22-21-11)23-7-6-19-8-23;1-24-15(23)10-4-5-16-8-12(10)18-14(22)11-2-3-13(20-19-11)21-7-6-17-9-21;1-24-15(23)13-10(3-2-6-17-13)18-14(22)11-4-5-12(20-19-11)21-8-7-16-9-21/h1-2,6-13H,3-5H2,(H,21,25);4-10H,1-3H3,(H,20,24);2-10H,1H3,(H,20,25);2-8H,1H3,(H,20,24);2*2-9H,1H3,(H,18,22).
What are the key properties of cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate has a molecular weight of 2069.97 g/mol, XLogP of 11.39, 25 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;6-imidazol-1-yl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridazine-3-carboxamide;methyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3,4-dimethylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 158107375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).