7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

C21H19FN6O3 — CID 176809158

IUPAC7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCC(=O)/C(COc1ccc(N2CCn3ccnc3C2=O)nn1)=C(\N)c1ccc(F)cc1
InChIInChI=1S/C21H19FN6O3/c1-13(29)16(19(23)14-2-4-15(22)5-3-14)12-31-18-7-6-17(25-26-18)28-11-10-27-9-8-24-20(27)21(28)30/h2-9H,10-12,23H2,1H3/b19-16-
InChIKeyJHORBXMVGIUURO-MNDPQUGUSA-N
MW422.42 g/mol
LogP1.81
Rot. Bonds6

About 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 176809158) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID176809158
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCC(=O)/C(COc1ccc(N2CCn3ccnc3C2=O)nn1)=C(\N)c1ccc(F)cc1
InChIInChI=1S/C21H19FN6O3/c1-13(29)16(19(23)14-2-4-15(22)5-3-14)12-31-18-7-6-17(25-26-18)28-11-10-27-9-8-24-20(27)21(28)30/h2-9H,10-12,23H2,1H3/b19-16-
InChIKeyJHORBXMVGIUURO-MNDPQUGUSA-N
XLogP1.81
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-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

(Z)-4-amino-3-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazin-3-yl]oxymethyl]-4-(4-fluorophenyl)but-3-en-2-one
CID 176809147
2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306698
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
CID 71799686
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
[2-(4-fluorophenyl)-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 55425854
ethyl 6-[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33376946
2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one
CID 59407016
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-fluorophenyl)propan-1-one
CID 63027101
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379

Frequently Asked Questions

What is the IUPAC name of 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (CID 176809158) is 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is CC(=O)/C(COc1ccc(N2CCn3ccnc3C2=O)nn1)=C(\N)c1ccc(F)cc1.
What is the InChIKey of 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is JHORBXMVGIUURO-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H19FN6O3/c1-13(29)16(19(23)14-2-4-15(22)5-3-14)12-31-18-7-6-17(25-26-18)28-11-10-27-9-8-24-20(27)21(28)30/h2-9H,10-12,23H2,1H3/b19-16-.
What are the key properties of 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 422.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[(2Z)-2-[amino-(4-fluorophenyl)methylidene]-3-oxobutoxy]pyridazin-3-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 176809158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).