4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine

C26H21N5 — CID 86267455

IUPAC4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
SMILESNc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1
InChIInChI=1S/C26H21N5/c27-23-15-14-20(17-28-23)25-22-13-7-12-21(19-10-5-2-6-11-19)24(22)26(31-30-25)29-16-18-8-3-1-4-9-18/h1-15,17H,16H2,(H2,27,28)(H,29,31)
InChIKeyNVCZHACLFAOCAL-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.55
Rot. Bonds5

About 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine

4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine (PubChem CID 86267455) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
PubChem CID86267455
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC Name4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
SMILESNc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1
InChIInChI=1S/C26H21N5/c27-23-15-14-20(17-28-23)25-22-13-7-12-21(19-10-5-2-6-11-19)24(22)26(31-30-25)29-16-18-8-3-1-4-9-18/h1-15,17H,16H2,(H2,27,28)(H,29,31)
InChIKeyNVCZHACLFAOCAL-UHFFFAOYSA-N
XLogP5.55
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine 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 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
The IUPAC name of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine (CID 86267455) is 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine is Nc1ccc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)cn1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
The InChIKey is NVCZHACLFAOCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5/c27-23-15-14-20(17-28-23)25-22-13-7-12-21(19-10-5-2-6-11-19)24(22)26(31-30-25)29-16-18-8-3-1-4-9-18/h1-15,17H,16H2,(H2,27,28)(H,29,31).
What are the key properties of 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine?
4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine has a molecular weight of 403.49 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine is sourced from PubChem (CID 86267455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).