6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one

C23H26N4O2 — CID 2010571

IUPAC6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
SMILESCc1cccc(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4)N3)C[C@@H]2C)c1
InChIInChI=1S/C23H26N4O2/c1-17-7-6-10-20(15-17)26-14-13-25(16-18(26)2)23(29)21-11-12-22(28)27(24-21)19-8-4-3-5-9-19/h3-11,15,18,24H,12-14,16H2,1-2H3/t18-/m0/s1
InChIKeyLDQFOFUKJQRTMA-SFHVURJKSA-N
MW390.49 g/mol
LogP2.86
Rot. Bonds3

About 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one

6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one (PubChem CID 2010571) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
PubChem CID2010571
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
SMILESCc1cccc(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4)N3)C[C@@H]2C)c1
InChIInChI=1S/C23H26N4O2/c1-17-7-6-10-20(15-17)26-14-13-25(16-18(26)2)23(29)21-11-12-22(28)27(24-21)19-8-4-3-5-9-19/h3-11,15,18,24H,12-14,16H2,1-2H3/t18-/m0/s1
InChIKeyLDQFOFUKJQRTMA-SFHVURJKSA-N
XLogP2.86
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2007460
6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002838
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874
6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002922
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2013733
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
3-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2470279
6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
CID 4118469
[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[5-[[(S)-phenylsulfinyl]methyl]furan-2-yl]methanone
CID 92662326
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
CID 46364973

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one (CID 2010571) is 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one is Cc1cccc(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4)N3)C[C@@H]2C)c1.
What is the InChIKey of 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
The InChIKey is LDQFOFUKJQRTMA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-7-6-10-20(15-17)26-14-13-25(16-18(26)2)23(29)21-11-12-22(28)27(24-21)19-8-4-3-5-9-19/h3-11,15,18,24H,12-14,16H2,1-2H3/t18-/m0/s1.
What are the key properties of 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one?
6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one has a molecular weight of 390.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2010571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).