N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide

C20H13FN6O4 — CID 55635204

IUPACN'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H13FN6O4/c21-11-5-7-12(8-6-11)27-16(28)10-9-15(26-27)19(30)24-25-20(31)17-13-3-1-2-4-14(13)18(29)23-22-17/h1-10H,(H,23,29)(H,24,30)(H,25,31)
InChIKeyBSXKFDYQDXGVHS-UHFFFAOYSA-N
MW420.36 g/mol
LogP0.68
Rot. Bonds3

About N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide

N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 55635204) has the molecular formula C20H13FN6O4 and a molecular weight of 420.36 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID55635204
Molecular FormulaC20H13FN6O4
Molecular Weight420.36 g/mol
Exact Mass420.10
IUPAC NameN'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H13FN6O4/c21-11-5-7-12(8-6-11)27-16(28)10-9-15(26-27)19(30)24-25-20(31)17-13-3-1-2-4-14(13)18(29)23-22-17/h1-10H,(H,23,29)(H,24,30)(H,25,31)
InChIKeyBSXKFDYQDXGVHS-UHFFFAOYSA-N
XLogP0.68
TPSA138.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
CID 17435460
4-fluoro-N-[3-methyl-1-oxo-1-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 4799558
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646
2,4-difluoro-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzamide
CID 55486716
2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 24514494
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55631027
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 78780136
6-oxo-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyridazine-3-carbohydrazide
CID 78852340
N'-[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 31700377

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide (CID 55635204) is N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide is O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is BSXKFDYQDXGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O4/c21-11-5-7-12(8-6-11)27-16(28)10-9-15(26-27)19(30)24-25-20(31)17-13-3-1-2-4-14(13)18(29)23-22-17/h1-10H,(H,23,29)(H,24,30)(H,25,31).
What are the key properties of N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 420.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 55635204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).