N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide

C22H21F2N5O2 — CID 53051316

IUPACN-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H21F2N5O2/c23-18-7-6-16(14-19(18)24)25-21(30)15-29-22(31)9-8-20(26-29)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,25,30)
InChIKeyMGBPGSOQKWCYEI-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.49
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide (PubChem CID 53051316) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
PubChem CID53051316
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC NameN-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H21F2N5O2/c23-18-7-6-16(14-19(18)24)25-21(30)15-29-22(31)9-8-20(26-29)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,25,30)
InChIKeyMGBPGSOQKWCYEI-UHFFFAOYSA-N
XLogP2.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53023524
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 53073408
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283267
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 90517725
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 51043011
N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 56761440
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 52901224

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide (CID 53051316) is N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide is O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
The InChIKey is MGBPGSOQKWCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c23-18-7-6-16(14-19(18)24)25-21(30)15-29-22(31)9-8-20(26-29)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,25,30).
What are the key properties of N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 53051316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).