4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide

C23H24N6O2 — CID 55619927

IUPAC4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCc2ccnc(-n3cccn3)c2)c2ccccc2c1=O
InChIInChI=1S/C23H24N6O2/c1-2-3-6-13-29-23(31)19-9-5-4-8-18(19)21(27-29)22(30)25-16-17-10-12-24-20(15-17)28-14-7-11-26-28/h4-5,7-12,14-15H,2-3,6,13,16H2,1H3,(H,25,30)
InChIKeyWVRRNHRMJSCUAY-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.10
Rot. Bonds8

About 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide

4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide (PubChem CID 55619927) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide
PubChem CID55619927
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCc2ccnc(-n3cccn3)c2)c2ccccc2c1=O
InChIInChI=1S/C23H24N6O2/c1-2-3-6-13-29-23(31)19-9-5-4-8-18(19)21(27-29)22(30)25-16-17-10-12-24-20(15-17)28-14-7-11-26-28/h4-5,7-12,14-15H,2-3,6,13,16H2,1H3,(H,25,30)
InChIKeyWVRRNHRMJSCUAY-UHFFFAOYSA-N
XLogP3.10
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 9460938
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
N-(2-amino-2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119639720
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
5-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 78866292
N-(2-amino-2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide;hydrochloride
CID 119639719

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide (CID 55619927) is 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide is CCCCCn1nc(C(=O)NCc2ccnc(-n3cccn3)c2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide?
The InChIKey is WVRRNHRMJSCUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-2-3-6-13-29-23(31)19-9-5-4-8-18(19)21(27-29)22(30)25-16-17-10-12-24-20(15-17)28-14-7-11-26-28/h4-5,7-12,14-15H,2-3,6,13,16H2,1H3,(H,25,30).
What are the key properties of 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide?
4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-pentyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 55619927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).