1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone

C21H23N5O2S — CID 122355684

IUPAC1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2s1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C21H23N5O2S/c27-21(19-13-16-3-1-2-4-18(16)29-19)26-7-5-24(6-8-26)17-14-20(23-22-15-17)25-9-11-28-12-10-25/h1-4,13-15H,5-12H2
InChIKeyZUBZUJQGPYMCOF-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.49
Rot. Bonds3

About 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone

1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (PubChem CID 122355684) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
PubChem CID122355684
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2s1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C21H23N5O2S/c27-21(19-13-16-3-1-2-4-18(16)29-19)26-7-5-24(6-8-26)17-14-20(23-22-15-17)25-9-11-28-12-10-25/h1-4,13-15H,5-12H2
InChIKeyZUBZUJQGPYMCOF-UHFFFAOYSA-N
XLogP2.49
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355631
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
4-(5-morpholin-4-ylpyridazin-3-yl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 71807542
furan-2-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968843
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972
(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968957
2,1,3-benzothiadiazol-5-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355311
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (CID 122355684) is 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2s1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ZUBZUJQGPYMCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c27-21(19-13-16-3-1-2-4-18(16)29-19)26-7-5-24(6-8-26)17-14-20(23-22-15-17)25-9-11-28-12-10-25/h1-4,13-15H,5-12H2.
What are the key properties of 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone has a molecular weight of 409.52 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122355684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).