furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

C23H20N4O2 — CID 6405276

IUPACfuran-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H20N4O2/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2
InChIKeyGNAMIGXXUZCPQC-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.85
Rot. Bonds3

About furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (PubChem CID 6405276) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
PubChem CID6405276
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Namefuran-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H20N4O2/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2
InChIKeyGNAMIGXXUZCPQC-UHFFFAOYSA-N
XLogP3.85
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone 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 furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (CID 6405276) is furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The InChIKey is GNAMIGXXUZCPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2.
What are the key properties of furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone has a molecular weight of 384.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 6405276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).