5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one

C16H18ClFN4O — CID 43037913

IUPAC5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCCN(Cc3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C16H18ClFN4O/c17-15-14(10-19-20-16(15)23)22-7-1-6-21(8-9-22)11-12-2-4-13(18)5-3-12/h2-5,10H,1,6-9,11H2,(H,20,23)
InChIKeyRTRLIKICQAGKLZ-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.27
Rot. Bonds3

About 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one (PubChem CID 43037913) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
PubChem CID43037913
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC Name5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCCN(Cc3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C16H18ClFN4O/c17-15-14(10-19-20-16(15)23)22-7-1-6-21(8-9-22)11-12-2-4-13(18)5-3-12/h2-5,10H,1,6-9,11H2,(H,20,23)
InChIKeyRTRLIKICQAGKLZ-UHFFFAOYSA-N
XLogP2.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-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

Related Compounds

5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 37101752
5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483856
5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245547
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
potassium;carbanide;5-chloro-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one;5-chloro-4-piperidin-1-yl-1H-pyridazin-6-one;5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 164975779
5-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
CID 134038856
5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483855
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397
5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 175651574
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
5-chloro-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 136522199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one (CID 43037913) is 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCCN(Cc3ccc(F)cc3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one?
The InChIKey is RTRLIKICQAGKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c17-15-14(10-19-20-16(15)23)22-7-1-6-21(8-9-22)11-12-2-4-13(18)5-3-12/h2-5,10H,1,6-9,11H2,(H,20,23).
What are the key properties of 5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one has a molecular weight of 336.80 g/mol, XLogP of 2.27, 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-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 43037913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).