[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C21H27N5O5S — CID 16883540

IUPAC[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCOc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nn1
InChIInChI=1S/C21H27N5O5S/c1-2-31-20-8-7-19(22-23-20)24-9-11-25(12-10-24)21(27)17-3-5-18(6-4-17)32(28,29)26-13-15-30-16-14-26/h3-8H,2,9-16H2,1H3
InChIKeyOSEHGNGRBQKEJF-UHFFFAOYSA-N
MW461.54 g/mol
LogP0.86
Rot. Bonds6

About [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 16883540) has the molecular formula C21H27N5O5S and a molecular weight of 461.54 g/mol. Its IUPAC name is [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID16883540
Molecular FormulaC21H27N5O5S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC Name[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCOc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nn1
InChIInChI=1S/C21H27N5O5S/c1-2-31-20-8-7-19(22-23-20)24-9-11-25(12-10-24)21(27)17-3-5-18(6-4-17)32(28,29)26-13-15-30-16-14-26/h3-8H,2,9-16H2,1H3
InChIKeyOSEHGNGRBQKEJF-UHFFFAOYSA-N
XLogP0.86
TPSA105.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90506482
(3,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867062
(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867063
(3,4-dichlorophenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869029
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90495021
[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110658417

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 16883540) is [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is CCOc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nn1.
What is the InChIKey of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is OSEHGNGRBQKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S/c1-2-31-20-8-7-19(22-23-20)24-9-11-25(12-10-24)21(27)17-3-5-18(6-4-17)32(28,29)26-13-15-30-16-14-26/h3-8H,2,9-16H2,1H3.
What are the key properties of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 461.54 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 16883540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).