4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide

C24H24N6O3S — CID 55438833

IUPAC4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)c2ccccc2c1=O
InChIInChI=1S/C24H24N6O3S/c1-2-3-6-12-30-24(33)19-10-5-4-9-18(19)21(29-30)22(32)28-27-20(31)13-17-15-34-23(26-17)16-8-7-11-25-14-16/h4-5,7-11,14-15H,2-3,6,12-13H2,1H3,(H,27,31)(H,28,32)
InChIKeyPXDJVVHWJDKIIL-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.11
Rot. Bonds8

About 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide

4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide (PubChem CID 55438833) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide
PubChem CID55438833
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)c2ccccc2c1=O
InChIInChI=1S/C24H24N6O3S/c1-2-3-6-12-30-24(33)19-10-5-4-9-18(19)21(29-30)22(32)28-27-20(31)13-17-15-34-23(26-17)16-8-7-11-25-14-16/h4-5,7-11,14-15H,2-3,6,12-13H2,1H3,(H,27,31)(H,28,32)
InChIKeyPXDJVVHWJDKIIL-UHFFFAOYSA-N
XLogP3.11
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 27679087
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 27551732
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
CID 60599880
4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 55428038
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide
CID 51205140
4-oxo-3-pentyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutanoyl]phthalazine-1-carbohydrazide
CID 26006941

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide (CID 55438833) is 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide?
The InChIKey is PXDJVVHWJDKIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-2-3-6-12-30-24(33)19-10-5-4-9-18(19)21(29-30)22(32)28-27-20(31)13-17-15-34-23(26-17)16-8-7-11-25-14-16/h4-5,7-11,14-15H,2-3,6,12-13H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide?
4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide has a molecular weight of 476.56 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide is sourced from PubChem (CID 55438833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).