2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C20H24ClN5O2 — CID 122335184

IUPAC2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C20H24ClN5O2/c21-17-4-2-1-3-16(17)15-20(27)26-9-7-24(8-10-26)18-5-6-19(23-22-18)25-11-13-28-14-12-25/h1-6H,7-15H2
InChIKeyBLZQIPDKVWEYTQ-UHFFFAOYSA-N
MW401.90 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 122335184) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID122335184
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C20H24ClN5O2/c21-17-4-2-1-3-16(17)15-20(27)26-9-7-24(8-10-26)18-5-6-19(23-22-18)25-11-13-28-14-12-25/h1-6H,7-15H2
InChIKeyBLZQIPDKVWEYTQ-UHFFFAOYSA-N
XLogP1.86
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345835
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 95986830
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
2-(2-chlorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9254435
2-(2-chlorophenyl)-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122341006
2-(2-chlorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56528341
3-[(2-methylphenyl)methylsulfonyl]-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 3244124
(3,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867062
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133464156

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 122335184) is 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is BLZQIPDKVWEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c21-17-4-2-1-3-16(17)15-20(27)26-9-7-24(8-10-26)18-5-6-19(23-22-18)25-11-13-28-14-12-25/h1-6H,7-15H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 401.90 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122335184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).