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

C21H23N5O2 — CID 71799903

IUPAC(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N5O2/c1-2-28-18-7-5-17(6-8-18)21(27)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-3-4-12-24/h3-12H,2,13-16H2,1H3
InChIKeyNBIKZQLHCDIAGO-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.63
Rot. Bonds5

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

(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 71799903) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID71799903
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N5O2/c1-2-28-18-7-5-17(6-8-18)21(27)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-3-4-12-24/h3-12H,2,13-16H2,1H3
InChIKeyNBIKZQLHCDIAGO-UHFFFAOYSA-N
XLogP2.63
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
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[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121059823
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 34563464
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 71799903) is (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is NBIKZQLHCDIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-28-18-7-5-17(6-8-18)21(27)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-3-4-12-24/h3-12H,2,13-16H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71799903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).