3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one

C22H21FN4O2 — CID 8967321

IUPAC3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C22H21FN4O2/c1-16-15-20(28)21(24-27(16)19-5-3-2-4-6-19)22(29)26-13-11-25(12-14-26)18-9-7-17(23)8-10-18/h2-10,15H,11-14H2,1H3
InChIKeyXQADYCUYPYYEAX-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.64
Rot. Bonds3

About 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one

3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one (PubChem CID 8967321) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
PubChem CID8967321
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C22H21FN4O2/c1-16-15-20(28)21(24-27(16)19-5-3-2-4-6-19)22(29)26-13-11-25(12-14-26)18-9-7-17(23)8-10-18/h2-10,15H,11-14H2,1H3
InChIKeyXQADYCUYPYYEAX-UHFFFAOYSA-N
XLogP2.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
CID 27674642
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 35611514
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8548127
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride
CID 120655604
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 97067476
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
4-[4-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715768
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78902413
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 16599689
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one (CID 8967321) is 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one?
The InChIKey is XQADYCUYPYYEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-16-15-20(28)21(24-27(16)19-5-3-2-4-6-19)22(29)26-13-11-25(12-14-26)18-9-7-17(23)8-10-18/h2-10,15H,11-14H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one?
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one has a molecular weight of 392.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one is sourced from PubChem (CID 8967321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).