2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

C17H19ClFN5O2 — CID 133417336

IUPAC2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCn1ncc(N2CCN(CC(=O)Nc3ccccc3F)CC2)c(Cl)c1=O
InChIInChI=1S/C17H19ClFN5O2/c1-22-17(26)16(18)14(10-20-22)24-8-6-23(7-9-24)11-15(25)21-13-5-3-2-4-12(13)19/h2-5,10H,6-9,11H2,1H3,(H,21,25)
InChIKeyUFUWIDSDDADOBT-UHFFFAOYSA-N
MW379.82 g/mol
LogP1.33
Rot. Bonds4

About 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 133417336) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID133417336
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC Name2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCn1ncc(N2CCN(CC(=O)Nc3ccccc3F)CC2)c(Cl)c1=O
InChIInChI=1S/C17H19ClFN5O2/c1-22-17(26)16(18)14(10-20-22)24-8-6-23(7-9-24)11-15(25)21-13-5-3-2-4-12(13)19/h2-5,10H,6-9,11H2,1H3,(H,21,25)
InChIKeyUFUWIDSDDADOBT-UHFFFAOYSA-N
XLogP1.33
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 133417336) is 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is Cn1ncc(N2CCN(CC(=O)Nc3ccccc3F)CC2)c(Cl)c1=O.
What is the InChIKey of 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is UFUWIDSDDADOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c1-22-17(26)16(18)14(10-20-22)24-8-6-23(7-9-24)11-15(25)21-13-5-3-2-4-12(13)19/h2-5,10H,6-9,11H2,1H3,(H,21,25).
What are the key properties of 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 379.82 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 133417336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).