2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C18H23N7O2 — CID 121086814

IUPAC2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ncccn1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C18H23N7O2/c26-17(14-27-18-19-6-3-7-20-18)25-12-10-24(11-13-25)16-5-4-15(21-22-16)23-8-1-2-9-23/h3-7H,1-2,8-14H2
InChIKeyWJYUYXABKVHLMY-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.59
Rot. Bonds5

About 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 121086814) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID121086814
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ncccn1)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C18H23N7O2/c26-17(14-27-18-19-6-3-7-20-18)25-12-10-24(11-13-25)16-5-4-15(21-22-16)23-8-1-2-9-23/h3-7H,1-2,8-14H2
InChIKeyWJYUYXABKVHLMY-UHFFFAOYSA-N
XLogP0.59
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122351296
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086683
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684
2-phenoxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 47072316
2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 42485311
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122335029

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 121086814) is 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(COc1ncccn1)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is WJYUYXABKVHLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c26-17(14-27-18-19-6-3-7-20-18)25-12-10-24(11-13-25)16-5-4-15(21-22-16)23-8-1-2-9-23/h3-7H,1-2,8-14H2.
What are the key properties of 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 369.43 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 121086814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).