2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

C21H23N5O2 — CID 71799914

IUPAC2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C21H23N5O2/c1-17(28-18-7-3-2-4-8-18)21(27)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-5-6-12-24/h2-12,17H,13-16H2,1H3
InChIKeyPGQPSAJQRMGKKF-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.38
Rot. Bonds5

About 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 71799914) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID71799914
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C21H23N5O2/c1-17(28-18-7-3-2-4-8-18)21(27)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-5-6-12-24/h2-12,17H,13-16H2,1H3
InChIKeyPGQPSAJQRMGKKF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one 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

(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
(2S)-2-phenoxy-1-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]propan-1-one
CID 100753018
(2R)-2-phenoxy-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93477996
2-(3,5-dimethylphenoxy)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 90539426
2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121060531
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 71799914) is 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is CC(Oc1ccccc1)C(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is PGQPSAJQRMGKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-17(28-18-7-3-2-4-8-18)21(27)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-5-6-12-24/h2-12,17H,13-16H2,1H3.
What are the key properties of 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 377.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71799914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).