3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

C22H20FN5O — CID 71961516

IUPAC3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C22H20FN5O/c23-19-6-3-17(4-7-19)5-10-22(29)28-14-12-27(13-15-28)21-9-8-20(25-26-21)18-2-1-11-24-16-18/h1-11,16H,12-15H2
InChIKeyNKOZVEDHYIKVKZ-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.04
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 71961516) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID71961516
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C22H20FN5O/c23-19-6-3-17(4-7-19)5-10-22(29)28-14-12-27(13-15-28)21-9-8-20(25-26-21)18-2-1-11-24-16-18/h1-11,16H,12-15H2
InChIKeyNKOZVEDHYIKVKZ-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-fluorophenyl)-1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 75462658
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058362
3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71962170
(E)-1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 121059985
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71961267
(E)-3-(4-chlorophenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 122336477
2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058388
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 122347617
(E)-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 121060058

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (CID 71961516) is 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is O=C(C=Cc1ccc(F)cc1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is NKOZVEDHYIKVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-19-6-3-17(4-7-19)5-10-22(29)28-14-12-27(13-15-28)21-9-8-20(25-26-21)18-2-1-11-24-16-18/h1-11,16H,12-15H2.
What are the key properties of 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 389.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 71961516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).