2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide

C20H23F2N3O2 — CID 170368231

IUPAC2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)Cn2nc(C(C)C)c(-c3cc(F)ccc3F)cc2=O)C1
InChIInChI=1S/C20H23F2N3O2/c1-11(2)20-16(15-8-13(21)4-5-17(15)22)9-19(27)25(24-20)10-18(26)23-14-6-12(3)7-14/h4-5,8-9,11-12,14H,6-7,10H2,1-3H3,(H,23,26)
InChIKeyYDJKFYONZSPFEX-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide

2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide (PubChem CID 170368231) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
PubChem CID170368231
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)Cn2nc(C(C)C)c(-c3cc(F)ccc3F)cc2=O)C1
InChIInChI=1S/C20H23F2N3O2/c1-11(2)20-16(15-8-13(21)4-5-17(15)22)9-19(27)25(24-20)10-18(26)23-14-6-12(3)7-14/h4-5,8-9,11-12,14H,6-7,10H2,1-3H3,(H,23,26)
InChIKeyYDJKFYONZSPFEX-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318868
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318856
2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 169318895
N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368578
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162432216
2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170369188
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
N-[3-(2-hydroxypropan-2-yl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363709
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 55374709
2-[4-(3-fluoro-5-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170369537
N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide (CID 170368231) is 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide is CC1CC(NC(=O)Cn2nc(C(C)C)c(-c3cc(F)ccc3F)cc2=O)C1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
The InChIKey is YDJKFYONZSPFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-11(2)20-16(15-8-13(21)4-5-17(15)22)9-19(27)25(24-20)10-18(26)23-14-6-12(3)7-14/h4-5,8-9,11-12,14H,6-7,10H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide has a molecular weight of 375.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide is sourced from PubChem (CID 170368231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).