2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one

C23H22N6O4S2 — CID 89388381

IUPAC2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one
SMILESC=CCn1nc(-c2cccs2)c2nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ncc2c1=O
InChIInChI=1S/C23H22N6O4S2/c1-2-9-29-22(30)18-15-24-23(26-20(18)21(27-29)19-4-3-14-34-19)25-16-5-7-17(8-6-16)35(31,32)28-10-12-33-13-11-28/h2-8,14-15H,1,9-13H2,(H,24,25,26)
InChIKeyHBILXUVCJJYHAN-UHFFFAOYSA-N
MW510.60 g/mol
LogP2.87
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one

2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one (PubChem CID 89388381) has the molecular formula C23H22N6O4S2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one
PubChem CID89388381
Molecular FormulaC23H22N6O4S2
Molecular Weight510.60 g/mol
Exact Mass510.11
IUPAC Name2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one
SMILESC=CCn1nc(-c2cccs2)c2nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ncc2c1=O
InChIInChI=1S/C23H22N6O4S2/c1-2-9-29-22(30)18-15-24-23(26-20(18)21(27-29)19-4-3-14-34-19)25-16-5-7-17(8-6-16)35(31,32)28-10-12-33-13-11-28/h2-8,14-15H,1,9-13H2,(H,24,25,26)
InChIKeyHBILXUVCJJYHAN-UHFFFAOYSA-N
XLogP2.87
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-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

2-[4-(2-oxopyrrolidin-1-yl)anilino]-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one
CID 89388325
8-phenyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]-6-prop-2-enylpyrimido[4,5-d]pyridazin-5-one
CID 89388423
6-(2-methylphenyl)-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one
CID 71223968
4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
CID 58455491
CID 89260405
CID 89260405
3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea
CID 3942094
N-[[4-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-thiophen-2-ylpyrimidin-2-yl]amino]phenyl]-methylidene-oxo-λ6-sulfanyl]morpholine-4-carboxamide
CID 91216666
formic acid;4-N-methyl-4-N-[2-(methylamino)ethyl]-2-N-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 68580241
N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
CID 3220629
N-(4-morpholin-4-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935001
ethyl N-[methyl-[4-[[4-(2-morpholin-4-ylethylamino)-5-thiophen-2-ylpyrimidin-2-yl]amino]phenyl]-oxo-λ6-sulfanylidene]carbamate
CID 58985631
N-(4-morpholin-4-ylsulfonylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518045

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one (CID 89388381) is 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one is C=CCn1nc(-c2cccs2)c2nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ncc2c1=O.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one?
The InChIKey is HBILXUVCJJYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S2/c1-2-9-29-22(30)18-15-24-23(26-20(18)21(27-29)19-4-3-14-34-19)25-16-5-7-17(8-6-16)35(31,32)28-10-12-33-13-11-28/h2-8,14-15H,1,9-13H2,(H,24,25,26).
What are the key properties of 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one?
2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one has a molecular weight of 510.60 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylanilino)-6-prop-2-enyl-8-thiophen-2-ylpyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 89388381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).