2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

C19H25FN4O2 — CID 56884717

IUPAC2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCN1CCCN(c2cnn(CCCOc3ccc(F)cc3)c(=O)c2)CC1
InChIInChI=1S/C19H25FN4O2/c1-22-8-2-9-23(12-11-22)17-14-19(25)24(21-15-17)10-3-13-26-18-6-4-16(20)5-7-18/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyLDDVIOMFPLYGFK-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.99
Rot. Bonds6

About 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (PubChem CID 56884717) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
PubChem CID56884717
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCN1CCCN(c2cnn(CCCOc3ccc(F)cc3)c(=O)c2)CC1
InChIInChI=1S/C19H25FN4O2/c1-22-8-2-9-23(12-11-22)17-14-19(25)24(21-15-17)10-3-13-26-18-6-4-16(20)5-7-18/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyLDDVIOMFPLYGFK-UHFFFAOYSA-N
XLogP1.99
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The IUPAC name of 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (CID 56884717) is 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is CN1CCCN(c2cnn(CCCOc3ccc(F)cc3)c(=O)c2)CC1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The InChIKey is LDDVIOMFPLYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-22-8-2-9-23(12-11-22)17-14-19(25)24(21-15-17)10-3-13-26-18-6-4-16(20)5-7-18/h4-7,14-15H,2-3,8-13H2,1H3.
What are the key properties of 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one has a molecular weight of 360.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is sourced from PubChem (CID 56884717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).