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

C26H31N5O4 — CID 121058331

IUPAC[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C26H31N5O4/c1-4-33-22-17-20(18-23(34-5-2)25(22)35-6-3)26(32)31-15-13-30(14-16-31)24-8-7-21(28-29-24)19-9-11-27-12-10-19/h7-12,17-18H,4-6,13-16H2,1-3H3
InChIKeySCPFNOWQSGLVLY-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.70
Rot. Bonds9

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

[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone (PubChem CID 121058331) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
PubChem CID121058331
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C26H31N5O4/c1-4-33-22-17-20(18-23(34-5-2)25(22)35-6-3)26(32)31-15-13-30(14-16-31)24-8-7-21(28-29-24)19-9-11-27-12-10-19/h7-12,17-18H,4-6,13-16H2,1-3H3
InChIKeySCPFNOWQSGLVLY-UHFFFAOYSA-N
XLogP3.70
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(6-pyridin-4-ylpyridazin-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-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 42110699
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121059823
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058281
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108545155
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965

Frequently Asked Questions

What is the IUPAC name of [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone (CID 121058331) is [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc(OCC)c1OCC.
What is the InChIKey of [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is SCPFNOWQSGLVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-4-33-22-17-20(18-23(34-5-2)25(22)35-6-3)26(32)31-15-13-30(14-16-31)24-8-7-21(28-29-24)19-9-11-27-12-10-19/h7-12,17-18H,4-6,13-16H2,1-3H3.
What are the key properties of [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 477.57 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 121058331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).