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

C143H160N24O22 — CID 157404547

IUPAC3-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
SMILESCC(=O)c1nn(Cc2ccccc2-c2ccc(C(C)(C)C)cc2)cc(O)c1=O.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(CC2(n3cc(C)c4cccnc43)CCCC2)cc(OC(C)=O)c1=O.Cc1cn(C2(Cn3cc(O)c(=O)c(C(=O)NC4CC4)n3)CCCC2)c2ncccc12
InChIInChI=1S/C23H24N2O3.C22H25N5O4.C22H25N5O3.C20H25N3O3.C20H19N3O3.C19H23N3O3.C17H19N3O3/c1-15(26)21-22(28)20(27)14-25(24-21)13-17-7-5-6-8-19(17)16-9-11-18(12-10-16)23(2,3)4;1-14-11-27(20-16(14)7-6-10-24-20)22(8-4-5-9-22)13-26-12-17(31-15(2)28)19(29)18(25-26)21(30)23-3;1-14-11-27(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;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)11-15(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/h5-12,14,27H,13H2,1-4H3;6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,23,30);4-5,10-12,15,28H,2-3,6-9,13H2,1H3,(H,24,30);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);2-4,7-8,12,14-15,23H,5-6,9-11H2,1H3,(H,20,25);3-6,9,21H,7-8,10H2,1-2H3,(H,18,23)
InChIKeyBNOJYSKLHWTRSU-UHFFFAOYSA-N
MW2567.00 g/mol
LogP17.23
Rot. Bonds33

About 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

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 (PubChem CID 157404547) has the molecular formula C143H160N24O22 and a molecular weight of 2567.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157404547
Molecular FormulaC143H160N24O22
Molecular Weight2567.00 g/mol
Exact Mass2565.21
IUPAC Name3-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
SMILESCC(=O)c1nn(Cc2ccccc2-c2ccc(C(C)(C)C)cc2)cc(O)c1=O.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(CC2(n3cc(C)c4cccnc43)CCCC2)cc(OC(C)=O)c1=O.Cc1cn(C2(Cn3cc(O)c(=O)c(C(=O)NC4CC4)n3)CCCC2)c2ncccc12
InChIInChI=1S/C23H24N2O3.C22H25N5O4.C22H25N5O3.C20H25N3O3.C20H19N3O3.C19H23N3O3.C17H19N3O3/c1-15(26)21-22(28)20(27)14-25(24-21)13-17-7-5-6-8-19(17)16-9-11-18(12-10-16)23(2,3)4;1-14-11-27(20-16(14)7-6-10-24-20)22(8-4-5-9-22)13-26-12-17(31-15(2)28)19(29)18(25-26)21(30)23-3;1-14-11-27(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;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)11-15(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/h5-12,14,27H,13H2,1-4H3;6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,23,30);4-5,10-12,15,28H,2-3,6-9,13H2,1H3,(H,24,30);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);2-4,7-8,12,14-15,23H,5-6,9-11H2,1H3,(H,20,25);3-6,9,21H,7-8,10H2,1-2H3,(H,18,23)
InChIKeyBNOJYSKLHWTRSU-UHFFFAOYSA-N
XLogP17.23
TPSA619.22 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.00
LogP ≤ 517.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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-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
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
5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridazine-3-carboxylic acid
CID 123399268
1-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;ethane
CID 144807955
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-[[1-carbazol-9-yl-3-(19-hydroxy-16,18-dioxospiro[9-oxa-1,15,21-triazatricyclo[15.3.1.14,8]docosa-4(22),5,7,17(21),19-pentaene-3,1'-cyclopentane]-12-yl)cyclopentyl]methyl]-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide
CID 139351077

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1nn(Cc2ccccc2-c2ccc(C(C)(C)C)cc2)cc(O)c1=O.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(CC2(n3cc(C)c4cccnc43)CCCC2)cc(OC(C)=O)c1=O.Cc1cn(C2(Cn3cc(O)c(=O)c(C(=O)NC4CC4)n3)CCCC2)c2ncccc12.
What is the InChIKey of 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?
The InChIKey is BNOJYSKLHWTRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3.C22H25N5O4.C22H25N5O3.C20H25N3O3.C20H19N3O3.C19H23N3O3.C17H19N3O3/c1-15(26)21-22(28)20(27)14-25(24-21)13-17-7-5-6-8-19(17)16-9-11-18(12-10-16)23(2,3)4;1-14-11-27(20-16(14)7-6-10-24-20)22(8-4-5-9-22)13-26-12-17(31-15(2)28)19(29)18(25-26)21(30)23-3;1-14-11-27(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;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)11-15(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/h5-12,14,27H,13H2,1-4H3;6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,23,30);4-5,10-12,15,28H,2-3,6-9,13H2,1H3,(H,24,30);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);2-4,7-8,12,14-15,23H,5-6,9-11H2,1H3,(H,20,25);3-6,9,21H,7-8,10H2,1-2H3,(H,18,23).
What are the key properties of 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?
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 has a molecular weight of 2567.00 g/mol, XLogP of 17.23, 33 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157404547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).