(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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Related Compounds

(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059786
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121059823
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059845
1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121059755
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
6-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 121059753
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 121059808
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42833198
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628

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).