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

C21H23N5O3 — CID 122355631

IUPAC1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C21H23N5O3/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
InChIKeyKMDOKCYSWJDBOC-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.02
Rot. Bonds3

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

1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (PubChem CID 122355631) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
PubChem CID122355631
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C21H23N5O3/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
InChIKeyKMDOKCYSWJDBOC-UHFFFAOYSA-N
XLogP2.02
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
furan-2-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968843
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
4-(5-morpholin-4-ylpyridazin-3-yl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 71807542
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968957
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
1-benzofuran-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2889798

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (CID 122355631) is 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The InChIKey is KMDOKCYSWJDBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/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-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone has a molecular weight of 393.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122355631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).