oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C18H27N5O2 — CID 122334392

IUPACoxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C18H27N5O2/c24-18(15-5-13-25-14-6-15)23-11-9-22(10-12-23)17-4-3-16(19-20-17)21-7-1-2-8-21/h3-4,15H,1-2,5-14H2
InChIKeyZARZBAQEHBZOQO-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.15
Rot. Bonds3

About oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122334392) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122334392
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Nameoxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C18H27N5O2/c24-18(15-5-13-25-14-6-15)23-11-9-22(10-12-23)17-4-3-16(19-20-17)21-7-1-2-8-21/h3-4,15H,1-2,5-14H2
InChIKeyZARZBAQEHBZOQO-UHFFFAOYSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze oxan-4-yl-[4-(6-pyrrolidin-1-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

oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122336726
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
cyclopentyl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336576
cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 133433606
N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 138385690
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 138386426

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122334392) is oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(C1CCOCC1)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is ZARZBAQEHBZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-18(15-5-13-25-14-6-15)23-11-9-22(10-12-23)17-4-3-16(19-20-17)21-7-1-2-8-21/h3-4,15H,1-2,5-14H2.
What are the key properties of oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122334392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).