5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

C17H18F2N4O2 — CID 91778169

IUPAC5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)Cc3cccc(F)c3F)CC2)cc1=O
InChIInChI=1S/C17H18F2N4O2/c1-21-15(24)10-13(11-20-21)22-5-7-23(8-6-22)16(25)9-12-3-2-4-14(18)17(12)19/h2-4,10-11H,5-9H2,1H3
InChIKeyWKYQOLAKBRWFMU-UHFFFAOYSA-N
MW348.35 g/mol
LogP0.95
Rot. Bonds3

About 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91778169) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID91778169
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)Cc3cccc(F)c3F)CC2)cc1=O
InChIInChI=1S/C17H18F2N4O2/c1-21-15(24)10-13(11-20-21)22-5-7-23(8-6-22)16(25)9-12-3-2-4-14(18)17(12)19/h2-4,10-11H,5-9H2,1H3
InChIKeyWKYQOLAKBRWFMU-UHFFFAOYSA-N
XLogP0.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 29150750
2-(2,3-difluorophenyl)-1-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]ethanone
CID 137344531
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
CID 91774299
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075631
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 28909109
4-[4-[(2,3-difluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-5-carboxylic acid
CID 19496196
3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 91780343
5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 45227534
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 136534570
2-methyl-5-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 171992857

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 91778169) is 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C(=O)Cc3cccc(F)c3F)CC2)cc1=O.
What is the InChIKey of 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is WKYQOLAKBRWFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-21-15(24)10-13(11-20-21)22-5-7-23(8-6-22)16(25)9-12-3-2-4-14(18)17(12)19/h2-4,10-11H,5-9H2,1H3.
What are the key properties of 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 348.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91778169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).