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

C79H81ClF6N10O14 — CID 159823742

IUPAC3-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
SMILESCC(=O)c1nn(CC2(c3cc(C)cc(C(F)(F)F)c3)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(c3ccccc3)CCCC2)cc(O)c1=O.COc1cccc(CNC(=O)c2nn(CC3(c4cccc(C(F)(F)F)c4)CCCC3)cc(O)c2=O)c1.O=C(O)c1nn(CC2(c3ccc(Cl)cc3)CC2)cc(O)c1=O
InChIInChI=1S/C26H26F3N3O4.C20H21F3N2O3.C18H21N3O3.C15H13ClN2O4/c1-36-20-9-4-6-17(12-20)14-30-24(35)22-23(34)21(33)15-32(31-22)16-25(10-2-3-11-25)18-7-5-8-19(13-18)26(27,28)29;1-12-7-14(9-15(8-12)20(21,22)23)19(5-3-4-6-19)11-25-10-16(27)18(28)17(24-25)13(2)26;1-19-17(24)15-16(23)14(22)11-21(20-15)12-18(9-5-6-10-18)13-7-3-2-4-8-13;16-10-3-1-9(2-4-10)15(5-6-15)8-18-7-11(19)13(20)12(17-18)14(21)22/h4-9,12-13,15,33H,2-3,10-11,14,16H2,1H3,(H,30,35);7-10,27H,3-6,11H2,1-2H3;2-4,7-8,11,22H,5-6,9-10,12H2,1H3,(H,19,24);1-4,7,19H,5-6,8H2,(H,21,22)
InChIKeyNMOIWGZPZIUGBZ-UHFFFAOYSA-N
MW1544.01 g/mol
LogP12.26
Rot. Bonds19

About 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

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 (PubChem CID 159823742) has the molecular formula C79H81ClF6N10O14 and a molecular weight of 1544.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159823742
Molecular FormulaC79H81ClF6N10O14
Molecular Weight1544.01 g/mol
Exact Mass1542.55
IUPAC Name3-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
SMILESCC(=O)c1nn(CC2(c3cc(C)cc(C(F)(F)F)c3)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(c3ccccc3)CCCC2)cc(O)c1=O.COc1cccc(CNC(=O)c2nn(CC3(c4cccc(C(F)(F)F)c4)CCCC3)cc(O)c2=O)c1.O=C(O)c1nn(CC2(c3ccc(Cl)cc3)CC2)cc(O)c1=O
InChIInChI=1S/C26H26F3N3O4.C20H21F3N2O3.C18H21N3O3.C15H13ClN2O4/c1-36-20-9-4-6-17(12-20)14-30-24(35)22-23(34)21(33)15-32(31-22)16-25(10-2-3-11-25)18-7-5-8-19(13-18)26(27,28)29;1-12-7-14(9-15(8-12)20(21,22)23)19(5-3-4-6-19)11-25-10-16(27)18(28)17(24-25)13(2)26;1-19-17(24)15-16(23)14(22)11-21(20-15)12-18(9-5-6-10-18)13-7-3-2-4-8-13;16-10-3-1-9(2-4-10)15(5-6-15)8-18-7-11(19)13(20)12(17-18)14(21)22/h4-9,12-13,15,33H,2-3,10-11,14,16H2,1H3,(H,30,35);7-10,27H,3-6,11H2,1-2H3;2-4,7-8,11,22H,5-6,9-10,12H2,1H3,(H,19,24);1-4,7,19H,5-6,8H2,(H,21,22)
InChIKeyNMOIWGZPZIUGBZ-UHFFFAOYSA-N
XLogP12.26
TPSA342.28 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001544.01
LogP ≤ 512.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

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
5-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-4-oxo-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide
CID 123409495
1-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;ethane
CID 144807955
4-oxo-5-phenylmethoxy-N-(1,1,1-trifluorobutan-2-yl)-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide
CID 123487258
N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 144808040
N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
CID 33205383
N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
CID 47955967
N-methyl-3-[[[N'-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111687262
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 3594843
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1nn(CC2(c3cc(C)cc(C(F)(F)F)c3)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(c3ccccc3)CCCC2)cc(O)c1=O.COc1cccc(CNC(=O)c2nn(CC3(c4cccc(C(F)(F)F)c4)CCCC3)cc(O)c2=O)c1.O=C(O)c1nn(CC2(c3ccc(Cl)cc3)CC2)cc(O)c1=O.
What is the InChIKey of 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?
The InChIKey is NMOIWGZPZIUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O4.C20H21F3N2O3.C18H21N3O3.C15H13ClN2O4/c1-36-20-9-4-6-17(12-20)14-30-24(35)22-23(34)21(33)15-32(31-22)16-25(10-2-3-11-25)18-7-5-8-19(13-18)26(27,28)29;1-12-7-14(9-15(8-12)20(21,22)23)19(5-3-4-6-19)11-25-10-16(27)18(28)17(24-25)13(2)26;1-19-17(24)15-16(23)14(22)11-21(20-15)12-18(9-5-6-10-18)13-7-3-2-4-8-13;16-10-3-1-9(2-4-10)15(5-6-15)8-18-7-11(19)13(20)12(17-18)14(21)22/h4-9,12-13,15,33H,2-3,10-11,14,16H2,1H3,(H,30,35);7-10,27H,3-6,11H2,1-2H3;2-4,7-8,11,22H,5-6,9-10,12H2,1H3,(H,19,24);1-4,7,19H,5-6,8H2,(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 1544.01 g/mol, XLogP of 12.26, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159823742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).