1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine

C25H23FN4O — CID 6405450

IUPAC1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine
SMILESCOc1ccccc1N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C25H23FN4O/c1-31-23-9-5-4-8-22(23)29-14-16-30(17-15-29)25-21-7-3-2-6-20(21)24(27-28-25)18-10-12-19(26)13-11-18/h2-13H,14-17H2,1H3
InChIKeyDVCZEZZEYJMEGW-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.77
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine

1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine (PubChem CID 6405450) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine
PubChem CID6405450
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine
SMILESCOc1ccccc1N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C25H23FN4O/c1-31-23-9-5-4-8-22(23)29-14-16-30(17-15-29)25-21-7-3-2-6-20(21)24(27-28-25)18-10-12-19(26)13-11-18/h2-13H,14-17H2,1H3
InChIKeyDVCZEZZEYJMEGW-UHFFFAOYSA-N
XLogP4.77
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine 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-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine (CID 6405450) is 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine is COc1ccccc1N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine?
The InChIKey is DVCZEZZEYJMEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-31-23-9-5-4-8-22(23)29-14-16-30(17-15-29)25-21-7-3-2-6-20(21)24(27-28-25)18-10-12-19(26)13-11-18/h2-13H,14-17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine?
1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine has a molecular weight of 414.48 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine is sourced from PubChem (CID 6405450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).