1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C21H23N5O3 — CID 122335220

IUPAC1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C21H23N5O3/c27-21(18-15-16-3-1-2-4-17(16)29-18)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-28-14-12-25/h1-6,15H,7-14H2
InChIKeyJIMUAQQYUBZABO-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.02
Rot. Bonds3

About 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122335220) 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-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122335220
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C21H23N5O3/c27-21(18-15-16-3-1-2-4-17(16)29-18)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-28-14-12-25/h1-6,15H,7-14H2
InChIKeyJIMUAQQYUBZABO-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

Analyze 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone 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

1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355631
1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060205
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2889798
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122335220) is 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is JIMUAQQYUBZABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-21(18-15-16-3-1-2-4-17(16)29-18)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-28-14-12-25/h1-6,15H,7-14H2.
What are the key properties of 1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-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-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122335220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).