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

C21H27N5O2 — CID 7292366

IUPAC(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C21H27N5O2/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/h2-4,7-10,17H,5-6,11-16H2,1H3/t17-/m1/s1
InChIKeyPQXKXJXUEGLQBP-QGZVFWFLSA-N
MW381.48 g/mol
LogP2.19
Rot. Bonds5

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

(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 7292366) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID7292366
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C21H27N5O2/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/h2-4,7-10,17H,5-6,11-16H2,1H3/t17-/m1/s1
InChIKeyPQXKXJXUEGLQBP-QGZVFWFLSA-N
XLogP2.19
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 71799914
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
(2R)-2-phenoxy-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93477996
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
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121060531
(2S)-2-phenoxy-1-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 95114511

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 7292366) is (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is PQXKXJXUEGLQBP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O2/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/h2-4,7-10,17H,5-6,11-16H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 381.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 7292366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).