1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one

C25H28N4O2 — CID 16883534

IUPAC1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCCOc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)nn1
InChIInChI=1S/C25H28N4O2/c1-2-31-24-14-13-23(26-27-24)28-15-17-29(18-16-28)25(30)19-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,22H,2,15-19H2,1H3
InChIKeyMRFXZZLVBDIDEW-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.75
Rot. Bonds7

About 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 16883534) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID16883534
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCCOc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)nn1
InChIInChI=1S/C25H28N4O2/c1-2-31-24-14-13-23(26-27-24)28-15-17-29(18-16-28)25(30)19-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,22H,2,15-19H2,1H3
InChIKeyMRFXZZLVBDIDEW-UHFFFAOYSA-N
XLogP3.75
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 16883527
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 16883530
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121059755
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 30773954
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 16883534) is 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one is CCOc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is MRFXZZLVBDIDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-31-24-14-13-23(26-27-24)28-15-17-29(18-16-28)25(30)19-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,22H,2,15-19H2,1H3.
What are the key properties of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 416.53 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 16883534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).