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

C22H25N5O2 — CID 78768674

IUPAC2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCN(c4ccccn4)CC3)CCC2=O)c1
InChIInChI=1S/C22H25N5O2/c1-16-6-7-17(2)19(15-16)27-21(28)9-8-18(24-27)22(29)26-13-11-25(12-14-26)20-5-3-4-10-23-20/h3-7,10,15H,8-9,11-14H2,1-2H3
InChIKeyRCCFEFKQUQNVQM-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.53
Rot. Bonds3

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

2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one (PubChem CID 78768674) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
PubChem CID78768674
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCN(c4ccccn4)CC3)CCC2=O)c1
InChIInChI=1S/C22H25N5O2/c1-16-6-7-17(2)19(15-16)27-21(28)9-8-18(24-27)22(29)26-13-11-25(12-14-26)20-5-3-4-10-23-20/h3-7,10,15H,8-9,11-14H2,1-2H3
InChIKeyRCCFEFKQUQNVQM-UHFFFAOYSA-N
XLogP2.53
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3931520
6-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
CID 55877622
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772
2-(2,5-dimethylphenyl)-6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 46601357
2-(2,5-dimethylphenyl)-6-[4-(3-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55742980
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide
CID 51159238
2-(2,5-dimethylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 112790786
1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55742599
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 60518761

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one (CID 78768674) is 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one is Cc1ccc(C)c(N2N=C(C(=O)N3CCN(c4ccccn4)CC3)CCC2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The InChIKey is RCCFEFKQUQNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-6-7-17(2)19(15-16)27-21(28)9-8-18(24-27)22(29)26-13-11-25(12-14-26)20-5-3-4-10-23-20/h3-7,10,15H,8-9,11-14H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one has a molecular weight of 391.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 78768674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).