4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide

C23H25N5O4 — CID 108798477

IUPAC4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(O)cc1=O
InChIInChI=1S/C23H25N5O4/c1-26-11-13-27(14-12-26)17-9-7-16(8-10-17)24-23(31)22-19(29)15-21(30)28(25-22)18-5-3-4-6-20(18)32-2/h3-10,15,29H,11-14H2,1-2H3,(H,24,31)
InChIKeyXSXKLRZPQYJVBC-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.95
Rot. Bonds5

About 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide

4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 108798477) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID108798477
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(O)cc1=O
InChIInChI=1S/C23H25N5O4/c1-26-11-13-27(14-12-26)17-9-7-16(8-10-17)24-23(31)22-19(29)15-21(30)28(25-22)18-5-3-4-6-20(18)32-2/h3-10,15,29H,11-14H2,1-2H3,(H,24,31)
InChIKeyXSXKLRZPQYJVBC-UHFFFAOYSA-N
XLogP1.95
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
N-[4-(acetylsulfamoyl)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785373
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
4-hydroxy-1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
CID 108798558
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798420
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide (CID 108798477) is 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is XSXKLRZPQYJVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-26-11-13-27(14-12-26)17-9-7-16(8-10-17)24-23(31)22-19(29)15-21(30)28(25-22)18-5-3-4-6-20(18)32-2/h3-10,15,29H,11-14H2,1-2H3,(H,24,31).
What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide?
4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108798477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).