1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine

C24H21F2N5 — CID 25065067

IUPAC1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine
SMILESFc1cnc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)c(F)c1
InChIInChI=1S/C24H21F2N5/c25-18-15-21(26)24(27-16-18)31-12-10-30(11-13-31)23-20-9-5-4-8-19(20)22(28-29-23)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyADSXBWXAYYALMU-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.22
Rot. Bonds4

About 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine

1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine (PubChem CID 25065067) has the molecular formula C24H21F2N5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine.

Molecular Properties

Compound Name1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine
PubChem CID25065067
Molecular FormulaC24H21F2N5
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Name1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine
SMILESFc1cnc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)c(F)c1
InChIInChI=1S/C24H21F2N5/c25-18-15-21(26)24(27-16-18)31-12-10-30(11-13-31)23-20-9-5-4-8-19(20)22(28-29-23)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyADSXBWXAYYALMU-UHFFFAOYSA-N
XLogP4.22
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)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-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine?
The IUPAC name of 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine (CID 25065067) is 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine.
What is the SMILES notation for 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine?
The canonical SMILES for 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine is Fc1cnc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)c(F)c1.
What is the InChIKey of 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine?
The InChIKey is ADSXBWXAYYALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5/c25-18-15-21(26)24(27-16-18)31-12-10-30(11-13-31)23-20-9-5-4-8-19(20)22(28-29-23)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2.
What are the key properties of 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine?
1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine has a molecular weight of 417.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine is sourced from PubChem (CID 25065067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).