1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one

C26H32N4O5 — CID 59021452

IUPAC1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one
SMILESCCOc1cc(C2=NN(C(=O)c3ccc(OCCN4CCNCC4=O)cc3)CCC2)ccc1OC
InChIInChI=1S/C26H32N4O5/c1-3-34-24-17-20(8-11-23(24)33-2)22-5-4-13-30(28-22)26(32)19-6-9-21(10-7-19)35-16-15-29-14-12-27-18-25(29)31/h6-11,17,27H,3-5,12-16,18H2,1-2H3
InChIKeyIDCXKPPFBWBVKN-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.54
Rot. Bonds9

About 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one

1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one (PubChem CID 59021452) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one
PubChem CID59021452
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one
SMILESCCOc1cc(C2=NN(C(=O)c3ccc(OCCN4CCNCC4=O)cc3)CCC2)ccc1OC
InChIInChI=1S/C26H32N4O5/c1-3-34-24-17-20(8-11-23(24)33-2)22-5-4-13-30(28-22)26(32)19-6-9-21(10-7-19)35-16-15-29-14-12-27-18-25(29)31/h6-11,17,27H,3-5,12-16,18H2,1-2H3
InChIKeyIDCXKPPFBWBVKN-UHFFFAOYSA-N
XLogP2.54
TPSA92.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one?
The IUPAC name of 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one (CID 59021452) is 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one is CCOc1cc(C2=NN(C(=O)c3ccc(OCCN4CCNCC4=O)cc3)CCC2)ccc1OC.
What is the InChIKey of 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one?
The InChIKey is IDCXKPPFBWBVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-3-34-24-17-20(8-11-23(24)33-2)22-5-4-13-30(28-22)26(32)19-6-9-21(10-7-19)35-16-15-29-14-12-27-18-25(29)31/h6-11,17,27H,3-5,12-16,18H2,1-2H3.
What are the key properties of 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one?
1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one has a molecular weight of 480.57 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one is sourced from PubChem (CID 59021452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).