1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid

C155H166N24O26 — CID 161390849

IUPAC1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)n2)cc1.CNC(=O)c1nn(CC(c2ccccc2)C2CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC(c2ccccc2)C2CCCCC2)cc(O)c1=O.CNC(=O)c1nn(CC(c2ccccc2)c2ccccc2)cc(O)c1=O.CNC(=O)c1nn(CC2(c3ccc(C)cc3)CC2)cc(O)c1=O.CNC(=O)c1nn(Cc2ccccc2-c2ccccc2)cc(O)c1=O.Cc1ccc(C2(Cn3cc(O)c(=O)c(C(=O)O)n3)CC2)cc1.Cc1cn(C2(Cn3cc(O)c(=O)c(C(=O)NC4CC4)n3)CCCC2)c2ncccc12
InChIInChI=1S/C22H25N5O3.C22H22N2O4.C20H25N3O3.C20H19N3O3.C19H17N3O3.C19H23N3O3.C17H19N3O3.C16H16N2O4/c1-14-11-27(20-16(14)5-4-10-23-20)22(8-2-3-9-22)13-26-12-17(28)19(29)18(25-26)21(30)24-15-6-7-15;1-22(2,3)16-10-8-14(9-11-16)17-7-5-4-6-15(17)12-24-13-18(25)20(26)19(23-24)21(27)28;2*1-21-20(26)18-19(25)17(24)13-23(22-18)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-20-19(25)17-18(24)16(23)12-22(21-17)11-14-9-5-6-10-15(14)13-7-3-2-4-8-13;1-20-19(25)17-18(24)16(23)12-22(21-17)11-15(14-9-5-6-10-14)13-7-3-2-4-8-13;1-11-3-5-12(6-4-11)17(7-8-17)10-20-9-13(21)15(22)14(19-20)16(23)18-2;1-10-2-4-11(5-3-10)16(6-7-16)9-18-8-12(19)14(20)13(17-18)15(21)22/h4-5,10-12,15,28H,2-3,6-9,13H2,1H3,(H,24,30);4-11,13,25H,12H2,1-3H3,(H,27,28);2,4-5,8-9,13,15-16,24H,3,6-7,10-12H2,1H3,(H,21,26);2-11,13,16,24H,12H2,1H3,(H,21,26);2-10,12,23H,11H2,1H3,(H,20,25);2-4,7-8,12,14-15,23H,5-6,9-11H2,1H3,(H,20,25);3-6,9,21H,7-8,10H2,1-2H3,(H,18,23);2-5,8,19H,6-7,9H2,1H3,(H,21,22)
InChIKeyVSYUCGAAHAEPRR-UHFFFAOYSA-N
MW2781.17 g/mol
LogP18.28
Rot. Bonds36

About 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid

1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid (PubChem CID 161390849) has the molecular formula C155H166N24O26 and a molecular weight of 2781.17 g/mol. Its IUPAC name is 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid
PubChem CID161390849
Molecular FormulaC155H166N24O26
Molecular Weight2781.17 g/mol
Exact Mass2779.24
IUPAC Name1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)n2)cc1.CNC(=O)c1nn(CC(c2ccccc2)C2CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC(c2ccccc2)C2CCCCC2)cc(O)c1=O.CNC(=O)c1nn(CC(c2ccccc2)c2ccccc2)cc(O)c1=O.CNC(=O)c1nn(CC2(c3ccc(C)cc3)CC2)cc(O)c1=O.CNC(=O)c1nn(Cc2ccccc2-c2ccccc2)cc(O)c1=O.Cc1ccc(C2(Cn3cc(O)c(=O)c(C(=O)O)n3)CC2)cc1.Cc1cn(C2(Cn3cc(O)c(=O)c(C(=O)NC4CC4)n3)CCCC2)c2ncccc12
InChIInChI=1S/C22H25N5O3.C22H22N2O4.C20H25N3O3.C20H19N3O3.C19H17N3O3.C19H23N3O3.C17H19N3O3.C16H16N2O4/c1-14-11-27(20-16(14)5-4-10-23-20)22(8-2-3-9-22)13-26-12-17(28)19(29)18(25-26)21(30)24-15-6-7-15;1-22(2,3)16-10-8-14(9-11-16)17-7-5-4-6-15(17)12-24-13-18(25)20(26)19(23-24)21(27)28;2*1-21-20(26)18-19(25)17(24)13-23(22-18)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-20-19(25)17-18(24)16(23)12-22(21-17)11-14-9-5-6-10-15(14)13-7-3-2-4-8-13;1-20-19(25)17-18(24)16(23)12-22(21-17)11-15(14-9-5-6-10-14)13-7-3-2-4-8-13;1-11-3-5-12(6-4-11)17(7-8-17)10-20-9-13(21)15(22)14(19-20)16(23)18-2;1-10-2-4-11(5-3-10)16(6-7-16)9-18-8-12(19)14(20)13(17-18)15(21)22/h4-5,10-12,15,28H,2-3,6-9,13H2,1H3,(H,24,30);4-11,13,25H,12H2,1-3H3,(H,27,28);2,4-5,8-9,13,15-16,24H,3,6-7,10-12H2,1H3,(H,21,26);2-11,13,16,24H,12H2,1H3,(H,21,26);2-10,12,23H,11H2,1H3,(H,20,25);2-4,7-8,12,14-15,23H,5-6,9-11H2,1H3,(H,20,25);3-6,9,21H,7-8,10H2,1-2H3,(H,18,23);2-5,8,19H,6-7,9H2,1H3,(H,21,22)
InChIKeyVSYUCGAAHAEPRR-UHFFFAOYSA-N
XLogP18.28
TPSA707.98 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002781.17
LogP ≤ 518.28
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Analyze 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid with MolForge

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Related Compounds

3-acetyl-1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxypyridazin-4-one;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;[6-(methylcarbamoyl)-2-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-5-oxopyridazin-4-yl] acetate
CID 157404547
5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 144807883
5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridazine-3-carboxylic acid
CID 123399268
N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 139351058
N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 144808040
3-acetyl-5-hydroxy-1-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazin-4-one;1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;5-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxo-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridazine-3-carboxamide
CID 159823742
1-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;ethane
CID 144807955
3-acetyl-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-hydroxypyridazin-4-one;3-acetyl-5-hydroxy-1-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazin-4-one;ethyl 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridazine-3-carboxylate;3-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-5-hydroxy-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazin-4-one;5-hydroxy-N-methyl-4-oxo-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide;5-hydroxy-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide
CID 159664782
4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 110245188
N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide
CID 66689632
3-[2-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]-4-phenylphenyl]-2,2-dimethylpropanoic acid
CID 69330136
[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride
CID 155569830

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid (CID 161390849) is 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid is CC(C)(C)c1ccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)n2)cc1.CNC(=O)c1nn(CC(c2ccccc2)C2CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC(c2ccccc2)C2CCCCC2)cc(O)c1=O.CNC(=O)c1nn(CC(c2ccccc2)c2ccccc2)cc(O)c1=O.CNC(=O)c1nn(CC2(c3ccc(C)cc3)CC2)cc(O)c1=O.CNC(=O)c1nn(Cc2ccccc2-c2ccccc2)cc(O)c1=O.Cc1ccc(C2(Cn3cc(O)c(=O)c(C(=O)O)n3)CC2)cc1.Cc1cn(C2(Cn3cc(O)c(=O)c(C(=O)NC4CC4)n3)CCCC2)c2ncccc12.
What is the InChIKey of 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid?
The InChIKey is VSYUCGAAHAEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.C22H22N2O4.C20H25N3O3.C20H19N3O3.C19H17N3O3.C19H23N3O3.C17H19N3O3.C16H16N2O4/c1-14-11-27(20-16(14)5-4-10-23-20)22(8-2-3-9-22)13-26-12-17(28)19(29)18(25-26)21(30)24-15-6-7-15;1-22(2,3)16-10-8-14(9-11-16)17-7-5-4-6-15(17)12-24-13-18(25)20(26)19(23-24)21(27)28;2*1-21-20(26)18-19(25)17(24)13-23(22-18)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-20-19(25)17-18(24)16(23)12-22(21-17)11-14-9-5-6-10-15(14)13-7-3-2-4-8-13;1-20-19(25)17-18(24)16(23)12-22(21-17)11-15(14-9-5-6-10-14)13-7-3-2-4-8-13;1-11-3-5-12(6-4-11)17(7-8-17)10-20-9-13(21)15(22)14(19-20)16(23)18-2;1-10-2-4-11(5-3-10)16(6-7-16)9-18-8-12(19)14(20)13(17-18)15(21)22/h4-5,10-12,15,28H,2-3,6-9,13H2,1H3,(H,24,30);4-11,13,25H,12H2,1-3H3,(H,27,28);2,4-5,8-9,13,15-16,24H,3,6-7,10-12H2,1H3,(H,21,26);2-11,13,16,24H,12H2,1H3,(H,21,26);2-10,12,23H,11H2,1H3,(H,20,25);2-4,7-8,12,14-15,23H,5-6,9-11H2,1H3,(H,20,25);3-6,9,21H,7-8,10H2,1-2H3,(H,18,23);2-5,8,19H,6-7,9H2,1H3,(H,21,22).
What are the key properties of 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid?
1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid has a molecular weight of 2781.17 g/mol, XLogP of 18.28, 36 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridazine-3-carboxamide;5-hydroxy-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 161390849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).