7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane

C25H25ClFN3O — CID 138562214

IUPAC7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane
SMILESFc1ccc(Cl)c(-c2ccc(OC3CC4(CCN(Cc5ccccc5)CC4)C3)nn2)c1
InChIInChI=1S/C25H25ClFN3O/c26-22-7-6-19(27)14-21(22)23-8-9-24(29-28-23)31-20-15-25(16-20)10-12-30(13-11-25)17-18-4-2-1-3-5-18/h1-9,14,20H,10-13,15-17H2
InChIKeyFIFWFPJPNDIEMA-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.76
Rot. Bonds5

About 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane

7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane (PubChem CID 138562214) has the molecular formula C25H25ClFN3O and a molecular weight of 437.95 g/mol. Its IUPAC name is 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane
PubChem CID138562214
Molecular FormulaC25H25ClFN3O
Molecular Weight437.95 g/mol
Exact Mass437.17
IUPAC Name7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane
SMILESFc1ccc(Cl)c(-c2ccc(OC3CC4(CCN(Cc5ccccc5)CC4)C3)nn2)c1
InChIInChI=1S/C25H25ClFN3O/c26-22-7-6-19(27)14-21(22)23-8-9-24(29-28-23)31-20-15-25(16-20)10-12-30(13-11-25)17-18-4-2-1-3-5-18/h1-9,14,20H,10-13,15-17H2
InChIKeyFIFWFPJPNDIEMA-UHFFFAOYSA-N
XLogP5.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane (CID 138562214) is 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane is Fc1ccc(Cl)c(-c2ccc(OC3CC4(CCN(Cc5ccccc5)CC4)C3)nn2)c1.
What is the InChIKey of 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane?
The InChIKey is FIFWFPJPNDIEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O/c26-22-7-6-19(27)14-21(22)23-8-9-24(29-28-23)31-20-15-25(16-20)10-12-30(13-11-25)17-18-4-2-1-3-5-18/h1-9,14,20H,10-13,15-17H2.
What are the key properties of 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane?
7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane has a molecular weight of 437.95 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 138562214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).