5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one

C23H24N4O3 — CID 40693658

IUPAC5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O3/c1-17-8-6-7-11-19(17)27-21(28)16-20(30-2)22(24-27)23(29)26-14-12-25(13-15-26)18-9-4-3-5-10-18/h3-11,16H,12-15H2,1-2H3
InChIKeyICLJMYYPKSMVRW-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.51
Rot. Bonds4

About 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one

5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 40693658) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
PubChem CID40693658
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O3/c1-17-8-6-7-11-19(17)27-21(28)16-20(30-2)22(24-27)23(29)26-14-12-25(13-15-26)18-9-4-3-5-10-18/h3-11,16H,12-15H2,1-2H3
InChIKeyICLJMYYPKSMVRW-UHFFFAOYSA-N
XLogP2.51
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one
CID 8554639
4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
CID 142773071
5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 18568903
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 122246547
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794
N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554755
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 8553150
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 8554482

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one (CID 40693658) is 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is ICLJMYYPKSMVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17-8-6-7-11-19(17)27-21(28)16-20(30-2)22(24-27)23(29)26-14-12-25(13-15-26)18-9-4-3-5-10-18/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one?
5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 404.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 40693658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).