1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride

C18H23ClFN5O2 — CID 119447197

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)c(C(=O)NCCN2CCNCC2)nn1-c1ccccc1F.Cl
InChIInChI=1S/C18H22FN5O2.ClH/c1-13-12-16(25)17(22-24(13)15-5-3-2-4-14(15)19)18(26)21-8-11-23-9-6-20-7-10-23;/h2-5,12,20H,6-11H2,1H3,(H,21,26);1H
InChIKeySAPVLWQPTWTDPS-UHFFFAOYSA-N
MW395.87 g/mol
LogP0.74
Rot. Bonds5

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride (PubChem CID 119447197) has the molecular formula C18H23ClFN5O2 and a molecular weight of 395.87 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
PubChem CID119447197
Molecular FormulaC18H23ClFN5O2
Molecular Weight395.87 g/mol
Exact Mass395.15
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)c(C(=O)NCCN2CCNCC2)nn1-c1ccccc1F.Cl
InChIInChI=1S/C18H22FN5O2.ClH/c1-13-12-16(25)17(22-24(13)15-5-3-2-4-14(15)19)18(26)21-8-11-23-9-6-20-7-10-23;/h2-5,12,20H,6-11H2,1H3,(H,21,26);1H
InChIKeySAPVLWQPTWTDPS-UHFFFAOYSA-N
XLogP0.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119448075
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 55545731
1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide
CID 51238818
1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 9268115
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride (CID 119447197) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride is Cc1cc(=O)c(C(=O)NCCN2CCNCC2)nn1-c1ccccc1F.Cl.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride?
The InChIKey is SAPVLWQPTWTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2.ClH/c1-13-12-16(25)17(22-24(13)15-5-3-2-4-14(15)19)18(26)21-8-11-23-9-6-20-7-10-23;/h2-5,12,20H,6-11H2,1H3,(H,21,26);1H.
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride has a molecular weight of 395.87 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119447197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).