1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine

C23H21N5 — CID 2953439

IUPAC1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
SMILESc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1
InChIInChI=1S/C23H21N5/c1-2-8-18(9-3-1)22-19-10-4-5-11-20(19)23(26-25-22)28-16-14-27(15-17-28)21-12-6-7-13-24-21/h1-13H,14-17H2
InChIKeyPNIJLOZKIYLNDS-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.02
Rot. Bonds3

About 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine

1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine (PubChem CID 2953439) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
PubChem CID2953439
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
SMILESc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1
InChIInChI=1S/C23H21N5/c1-2-8-18(9-3-1)22-19-10-4-5-11-20(19)23(26-25-22)28-16-14-27(15-17-28)21-12-6-7-13-24-21/h1-13H,14-17H2
InChIKeyPNIJLOZKIYLNDS-UHFFFAOYSA-N
XLogP4.02
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine (CID 2953439) is 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine is c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1.
What is the InChIKey of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
The InChIKey is PNIJLOZKIYLNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-2-8-18(9-3-1)22-19-10-4-5-11-20(19)23(26-25-22)28-16-14-27(15-17-28)21-12-6-7-13-24-21/h1-13H,14-17H2.
What are the key properties of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine?
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine has a molecular weight of 367.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 2953439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).