2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate

C87H79F7N28O16 — CID 160597863

IUPAC2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.CCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)CCC(C)C1.COC(=O)c1cc(C(F)(F)F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nc(OC)ncc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncc(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C21H22F2N6O3.C19H22N4O3.C17H11F4N5O3.C15H11FN6O3.C15H13N7O4/c1-3-28(4-2)9-10-32-21(31)14-11-15(22)16(23)12-18(14)25-20(30)17-5-6-19(27-26-17)29-8-7-24-13-29;1-3-26-19(25)15-10-13(2)4-5-14(15)11-17(24)16-6-7-18(22-21-16)23-9-8-20-12-23;1-29-16(28)9-6-10(17(19,20)21)11(18)7-13(9)23-15(27)12-2-3-14(25-24-12)26-5-4-22-8-26;1-25-15(24)13-11(6-9(16)7-18-13)19-14(23)10-2-3-12(21-20-10)22-5-4-17-8-22;1-25-14(24)12-10(7-17-15(19-12)26-2)18-13(23)9-3-4-11(21-20-9)22-6-5-16-8-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,30);6-9,12-13H,3-5,10-11H2,1-2H3;2-8H,1H3,(H,23,27);2-8H,1H3,(H,19,23);3-8H,1-2H3,(H,18,23)
InChIKeyRDWLBBAPFUGPFU-UHFFFAOYSA-N
MW1905.75 g/mol
LogP10.20
Rot. Bonds28

About 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate

2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate (PubChem CID 160597863) has the molecular formula C87H79F7N28O16 and a molecular weight of 1905.75 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate
PubChem CID160597863
Molecular FormulaC87H79F7N28O16
Molecular Weight1905.75 g/mol
Exact Mass1904.61
IUPAC Name2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.CCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)CCC(C)C1.COC(=O)c1cc(C(F)(F)F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nc(OC)ncc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncc(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C21H22F2N6O3.C19H22N4O3.C17H11F4N5O3.C15H11FN6O3.C15H13N7O4/c1-3-28(4-2)9-10-32-21(31)14-11-15(22)16(23)12-18(14)25-20(30)17-5-6-19(27-26-17)29-8-7-24-13-29;1-3-26-19(25)15-10-13(2)4-5-14(15)11-17(24)16-6-7-18(22-21-16)23-9-8-20-12-23;1-29-16(28)9-6-10(17(19,20)21)11(18)7-13(9)23-15(27)12-2-3-14(25-24-12)26-5-4-22-8-26;1-25-15(24)13-11(6-9(16)7-18-13)19-14(23)10-2-3-12(21-20-10)22-5-4-17-8-22;1-25-14(24)12-10(7-17-15(19-12)26-2)18-13(23)9-3-4-11(21-20-9)22-6-5-16-8-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,30);6-9,12-13H,3-5,10-11H2,1-2H3;2-8H,1H3,(H,23,27);2-8H,1H3,(H,19,23);3-8H,1-2H3,(H,18,23)
InChIKeyRDWLBBAPFUGPFU-UHFFFAOYSA-N
XLogP10.20
TPSA534.11 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.75
LogP ≤ 510.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate with MolForge

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Related Compounds

[3-Ethyl-8-[1-[[3-[3-[3-ethyl-2,6-dioxo-7-(pyridine-4-carbonyloxymethyl)-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2,6-dioxo-1-propylpurin-7-yl]methyl pyrimidine-2-carboxylate
CID 139476427
[3-ethyl-8-[1-[[3-[3-[3-ethyl-6-oxo-7-(pyridine-4-carbonyloxymethyl)-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2H-purin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2,6-dioxo-1-propylpurin-7-yl]methyl pyrimidine-2-carboxylate
CID 139477618
(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)-4-[2-[4-[2-(trifluoromethyl)-4-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-2-yl]phenyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperidin-1-yl]methanone
CID 146349816
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
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopropyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-[5-(difluoromethyl)-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 157101288
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
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
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopropyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-[5-(difluoromethyl)-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;ethyl 3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 157295125
5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[2-[butyl(ethyl)carbamoyl]-6-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N-butyl-N-ethyl-3-methylbenzamide;bis(2-ethylhexyl) 5-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(2-ethylhexoxycarbonyl)-5-heptan-3-yloxycarbonylphenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarboxylate
CID 157438892
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate (CID 160597863) is 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate is CCN(CC)CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.CCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)CCC(C)C1.COC(=O)c1cc(C(F)(F)F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nc(OC)ncc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ncc(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate?
The InChIKey is RDWLBBAPFUGPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O3.C19H22N4O3.C17H11F4N5O3.C15H11FN6O3.C15H13N7O4/c1-3-28(4-2)9-10-32-21(31)14-11-15(22)16(23)12-18(14)25-20(30)17-5-6-19(27-26-17)29-8-7-24-13-29;1-3-26-19(25)15-10-13(2)4-5-14(15)11-17(24)16-6-7-18(22-21-16)23-9-8-20-12-23;1-29-16(28)9-6-10(17(19,20)21)11(18)7-13(9)23-15(27)12-2-3-14(25-24-12)26-5-4-22-8-26;1-25-15(24)13-11(6-9(16)7-18-13)19-14(23)10-2-3-12(21-20-10)22-5-4-17-8-22;1-25-14(24)12-10(7-17-15(19-12)26-2)18-13(23)9-3-4-11(21-20-9)22-6-5-16-8-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,30);6-9,12-13H,3-5,10-11H2,1-2H3;2-8H,1H3,(H,23,27);2-8H,1H3,(H,19,23);3-8H,1-2H3,(H,18,23).
What are the key properties of 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate?
2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate has a molecular weight of 1905.75 g/mol, XLogP of 10.20, 28 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;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 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 160597863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).