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

C21H19N5O2 — CID 122341571

IUPAC1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C21H19N5O2/c27-21(18-15-16-5-1-2-6-17(16)28-18)26-13-11-25(12-14-26)20-8-7-19(22-23-20)24-9-3-4-10-24/h1-10,15H,11-14H2
InChIKeyYIWJKCTYJKNSJP-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.98
Rot. Bonds3

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

1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122341571) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122341571
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C21H19N5O2/c27-21(18-15-16-5-1-2-6-17(16)28-18)26-13-11-25(12-14-26)20-8-7-19(22-23-20)24-9-3-4-10-24/h1-10,15H,11-14H2
InChIKeyYIWJKCTYJKNSJP-UHFFFAOYSA-N
XLogP2.98
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
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1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
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1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122341571) is 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is YIWJKCTYJKNSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-21(18-15-16-5-1-2-6-17(16)28-18)26-13-11-25(12-14-26)20-8-7-19(22-23-20)24-9-3-4-10-24/h1-10,15H,11-14H2.
What are the key properties of 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 373.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122341571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).