(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C23H23FN4O2 — CID 42110666

IUPAC(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1
InChIInChI=1S/C23H23FN4O2/c1-2-30-20-9-5-18(6-10-20)23(29)28-15-13-27(14-16-28)22-12-11-21(25-26-22)17-3-7-19(24)8-4-17/h3-12H,2,13-16H2,1H3
InChIKeyAMMNBQBCGXCGHW-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.64
Rot. Bonds5

About (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone

(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42110666) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID42110666
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1
InChIInChI=1S/C23H23FN4O2/c1-2-30-20-9-5-18(6-10-20)23(29)28-15-13-27(14-16-28)22-12-11-21(25-26-22)17-3-7-19(24)8-4-17/h3-12H,2,13-16H2,1H3
InChIKeyAMMNBQBCGXCGHW-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 42110666) is (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is AMMNBQBCGXCGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-2-30-20-9-5-18(6-10-20)23(29)28-15-13-27(14-16-28)22-12-11-21(25-26-22)17-3-7-19(24)8-4-17/h3-12H,2,13-16H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 406.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42110666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).