6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one

C21H25N5O3 — CID 92634038

IUPAC6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)n1
InChIInChI=1S/C21H25N5O3/c1-16-7-8-19(27)26(22-16)15-20(28)25-13-17(14-25)21(29)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h2-8,17H,9-15H2,1H3
InChIKeyYARVPVFVIPKRHP-UHFFFAOYSA-N
MW395.46 g/mol
LogP0.36
Rot. Bonds4

About 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 92634038) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one
PubChem CID92634038
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)n1
InChIInChI=1S/C21H25N5O3/c1-16-7-8-19(27)26(22-16)15-20(28)25-13-17(14-25)21(29)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h2-8,17H,9-15H2,1H3
InChIKeyYARVPVFVIPKRHP-UHFFFAOYSA-N
XLogP0.36
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 11293981
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one
CID 121069978
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517215
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
6-(furan-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 7658856
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
2-[2-[(3aR,4S,6aS)-4-phenyl-5-propanoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 170502917
2-[2-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 166612878
2-[2-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 133079824
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633071

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one (CID 92634038) is 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)n1.
What is the InChIKey of 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is YARVPVFVIPKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-16-7-8-19(27)26(22-16)15-20(28)25-13-17(14-25)21(29)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h2-8,17H,9-15H2,1H3.
What are the key properties of 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 395.46 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 92634038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).