N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C24H24F3N5O2 — CID 43992920

IUPACN-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)COc4cccc(C(F)(F)F)c4)cc3)nn2)CC1
InChIInChI=1S/C24H24F3N5O2/c1-31-11-13-32(14-12-31)22-10-9-21(29-30-22)17-5-7-19(8-6-17)28-23(33)16-34-20-4-2-3-18(15-20)24(25,26)27/h2-10,15H,11-14,16H2,1H3,(H,28,33)
InChIKeyIFLRPSTXEDXOLA-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.93
Rot. Bonds6

About N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 43992920) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID43992920
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)COc4cccc(C(F)(F)F)c4)cc3)nn2)CC1
InChIInChI=1S/C24H24F3N5O2/c1-31-11-13-32(14-12-31)22-10-9-21(29-30-22)17-5-7-19(8-6-17)28-23(33)16-34-20-4-2-3-18(15-20)24(25,26)27/h2-10,15H,11-14,16H2,1H3,(H,28,33)
InChIKeyIFLRPSTXEDXOLA-UHFFFAOYSA-N
XLogP3.93
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 43992532
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992945
2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992622
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992897
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41006216
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 43992920) is N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is CN1CCN(c2ccc(-c3ccc(NC(=O)COc4cccc(C(F)(F)F)c4)cc3)nn2)CC1.
What is the InChIKey of N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is IFLRPSTXEDXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-31-11-13-32(14-12-31)22-10-9-21(29-30-22)17-5-7-19(8-6-17)28-23(33)16-34-20-4-2-3-18(15-20)24(25,26)27/h2-10,15H,11-14,16H2,1H3,(H,28,33).
What are the key properties of N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 471.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 43992920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).