2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one

C21H23N5O2 — CID 3931520

IUPAC2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(C(=O)N3CCN(c4ccccn4)CC3)CCC2=O)cc1
InChIInChI=1S/C21H23N5O2/c1-16-5-7-17(8-6-16)26-20(27)10-9-18(23-26)21(28)25-14-12-24(13-15-25)19-4-2-3-11-22-19/h2-8,11H,9-10,12-15H2,1H3
InChIKeyDUFWATNWZHGCSD-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one

2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one (PubChem CID 3931520) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
PubChem CID3931520
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(C(=O)N3CCN(c4ccccn4)CC3)CCC2=O)cc1
InChIInChI=1S/C21H23N5O2/c1-16-5-7-17(8-6-16)26-20(27)10-9-18(23-26)21(28)25-14-12-24(13-15-25)19-4-2-3-11-22-19/h2-8,11H,9-10,12-15H2,1H3
InChIKeyDUFWATNWZHGCSD-UHFFFAOYSA-N
XLogP2.22
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 78768674
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373788
6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
CID 3707613
6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3639597
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
6-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
CID 55877622
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 53499713
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one (CID 3931520) is 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one is Cc1ccc(N2N=C(C(=O)N3CCN(c4ccccn4)CC3)CCC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The InChIKey is DUFWATNWZHGCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16-5-7-17(8-6-16)26-20(27)10-9-18(23-26)21(28)25-14-12-24(13-15-25)19-4-2-3-11-22-19/h2-8,11H,9-10,12-15H2,1H3.
What are the key properties of 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one has a molecular weight of 377.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3931520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).