5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one

C17H18ClFN4O — CID 138483856

IUPAC5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C3(c4ccc(F)cc4)CC3)CC2)c1Cl
InChIInChI=1S/C17H18ClFN4O/c18-15-14(11-20-21-16(15)24)22-7-9-23(10-8-22)17(5-6-17)12-1-3-13(19)4-2-12/h1-4,11H,5-10H2,(H,21,24)
InChIKeyRCNQNZPMQOEMCV-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.37
Rot. Bonds3

About 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138483856) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138483856
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C3(c4ccc(F)cc4)CC3)CC2)c1Cl
InChIInChI=1S/C17H18ClFN4O/c18-15-14(11-20-21-16(15)24)22-7-9-23(10-8-22)17(5-6-17)12-1-3-13(19)4-2-12/h1-4,11H,5-10H2,(H,21,24)
InChIKeyRCNQNZPMQOEMCV-UHFFFAOYSA-N
XLogP2.37
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one 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 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138483856) is 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(C3(c4ccc(F)cc4)CC3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is RCNQNZPMQOEMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-15-14(11-20-21-16(15)24)22-7-9-23(10-8-22)17(5-6-17)12-1-3-13(19)4-2-12/h1-4,11H,5-10H2,(H,21,24).
What are the key properties of 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 348.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).