[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone

C23H24FN5O2 — CID 122334178

IUPAC[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)CC2)nn1
InChIInChI=1S/C23H24FN5O2/c1-27(2)21-10-11-22(26-25-21)28-12-14-29(15-13-28)23(30)17-4-3-5-20(16-17)31-19-8-6-18(24)7-9-19/h3-11,16H,12-15H2,1-2H3
InChIKeyIQPBANYPZMFJKK-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.44
Rot. Bonds5

About [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone (PubChem CID 122334178) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone
PubChem CID122334178
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)CC2)nn1
InChIInChI=1S/C23H24FN5O2/c1-27(2)21-10-11-22(26-25-21)28-12-14-29(15-13-28)23(30)17-4-3-5-20(16-17)31-19-8-6-18(24)7-9-19/h3-11,16H,12-15H2,1-2H3
InChIKeyIQPBANYPZMFJKK-UHFFFAOYSA-N
XLogP3.44
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-fluorophenoxy)phenyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334469
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122334080
[3-(4-fluorophenoxy)phenyl]-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336790
[3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122351498
[3-(4-fluorophenoxy)phenyl]-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332411
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 167779887

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone?
The IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone (CID 122334178) is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone.
What is the SMILES notation for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone?
The canonical SMILES for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone is CN(C)c1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)CC2)nn1.
What is the InChIKey of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone?
The InChIKey is IQPBANYPZMFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-27(2)21-10-11-22(26-25-21)28-12-14-29(15-13-28)23(30)17-4-3-5-20(16-17)31-19-8-6-18(24)7-9-19/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone?
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone has a molecular weight of 421.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone is sourced from PubChem (CID 122334178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).