4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide

C23H24N6O4S — CID 55428038

IUPAC4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2nc(-c3ccsc3)no2)c2ccccc2c1=O
InChIInChI=1S/C23H24N6O4S/c1-2-3-6-12-29-23(32)17-8-5-4-7-16(17)20(27-29)22(31)26-25-18(30)9-10-19-24-21(28-33-19)15-11-13-34-14-15/h4-5,7-8,11,13-14H,2-3,6,9-10,12H2,1H3,(H,25,30)(H,26,31)
InChIKeyFCFLVDHDXRHAFA-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.09
Rot. Bonds9

About 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide

4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide (PubChem CID 55428038) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
PubChem CID55428038
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC Name4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2nc(-c3ccsc3)no2)c2ccccc2c1=O
InChIInChI=1S/C23H24N6O4S/c1-2-3-6-12-29-23(32)17-8-5-4-7-16(17)20(27-29)22(31)26-25-18(30)9-10-19-24-21(28-33-19)15-11-13-34-14-15/h4-5,7-8,11,13-14H,2-3,6,9-10,12H2,1H3,(H,25,30)(H,26,31)
InChIKeyFCFLVDHDXRHAFA-UHFFFAOYSA-N
XLogP3.09
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55678680
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
CID 60599880
N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 41453316
4-oxo-3-propan-2-yl-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 35767753
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 27679087
4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide
CID 55438833
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 8946872

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide (CID 55428038) is 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)CCc2nc(-c3ccsc3)no2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide?
The InChIKey is FCFLVDHDXRHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-2-3-6-12-29-23(32)17-8-5-4-7-16(17)20(27-29)22(31)26-25-18(30)9-10-19-24-21(28-33-19)15-11-13-34-14-15/h4-5,7-8,11,13-14H,2-3,6,9-10,12H2,1H3,(H,25,30)(H,26,31).
What are the key properties of 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide?
4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide has a molecular weight of 480.55 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide is sourced from PubChem (CID 55428038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).