N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide

C18H22FN5O2 — CID 72851537

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCNCC2)cc1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H22FN5O2/c19-15-3-1-14(2-4-15)5-6-21-17(25)13-24-18(26)11-16(12-22-24)23-9-7-20-8-10-23/h1-4,11-12,20H,5-10,13H2,(H,21,25)
InChIKeyBEYZZIOVNKNXHG-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.15
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide (PubChem CID 72851537) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
PubChem CID72851537
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCNCC2)cc1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H22FN5O2/c19-15-3-1-14(2-4-15)5-6-21-17(25)13-24-18(26)11-16(12-22-24)23-9-7-20-8-10-23/h1-4,11-12,20H,5-10,13H2,(H,21,25)
InChIKeyBEYZZIOVNKNXHG-UHFFFAOYSA-N
XLogP0.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk4027
CID 126961735
4-chloro-2-methyl-5-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyridazin-3-one
CID 137646779
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3237638
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3244753
2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72871498
4-Bromo-2-methyl-5-[[(3S,5S)-1-methyl-5-phenylpiperidin-3-yl]amino]pyridazin-3-one
CID 132941768
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 138483771
US10239861, Example 42
CID 121476433
US10239861, Example 56
CID 121476442
N-[(3,5-Difluorophenyl)methyl]-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907033
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(2-fluorophenyl)acetamide
CID 91911787
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3244063

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide (CID 72851537) is N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide is O=C(Cn1ncc(N2CCNCC2)cc1=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is BEYZZIOVNKNXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-15-3-1-14(2-4-15)5-6-21-17(25)13-24-18(26)11-16(12-22-24)23-9-7-20-8-10-23/h1-4,11-12,20H,5-10,13H2,(H,21,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 72851537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).