ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate

C19H23FN4O4 — CID 46488339

IUPACethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1
InChIInChI=1S/C19H23FN4O4/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)16-7-8-17(25)24(21-16)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3
InChIKeyXEUVKGMWTBAHHP-UHFFFAOYSA-N
MW390.42 g/mol
LogP1.60
Rot. Bonds4

About ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 46488339) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate
PubChem CID46488339
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Nameethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1
InChIInChI=1S/C19H23FN4O4/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)16-7-8-17(25)24(21-16)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3
InChIKeyXEUVKGMWTBAHHP-UHFFFAOYSA-N
XLogP1.60
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate (CID 46488339) is ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1.
What is the InChIKey of ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is XEUVKGMWTBAHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)16-7-8-17(25)24(21-16)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3.
What are the key properties of ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 390.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 46488339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).