[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

C27H32N4O4 — CID 108753628

IUPAC[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C27H32N4O4/c1-4-33-23-18-21(19-24(34-5-2)26(23)35-6-3)27(32)31-16-14-30(15-17-31)25-13-12-22(28-29-25)20-10-8-7-9-11-20/h7-13,18-19H,4-6,14-17H2,1-3H3
InChIKeyPUJREORURIBSDJ-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.30
Rot. Bonds9

About [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone (PubChem CID 108753628) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
PubChem CID108753628
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C27H32N4O4/c1-4-33-23-18-21(19-24(34-5-2)26(23)35-6-3)27(32)31-16-14-30(15-17-31)25-13-12-22(28-29-25)20-10-8-7-9-11-20/h7-13,18-19H,4-6,14-17H2,1-3H3
InChIKeyPUJREORURIBSDJ-UHFFFAOYSA-N
XLogP4.30
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)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

[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121058331
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 121059808
[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
(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone
CID 108729933
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 42110699

Frequently Asked Questions

What is the IUPAC name of [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone (CID 108753628) is [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc(OCC)c1OCC.
What is the InChIKey of [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is PUJREORURIBSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-4-33-23-18-21(19-24(34-5-2)26(23)35-6-3)27(32)31-16-14-30(15-17-31)25-13-12-22(28-29-25)20-10-8-7-9-11-20/h7-13,18-19H,4-6,14-17H2,1-3H3.
What are the key properties of [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 476.58 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 108753628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).