2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one

C24H21N5O2 — CID 3353614

IUPAC2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H21N5O2/c30-23-20-11-5-4-10-19(20)22(26-29(23)18-8-2-1-3-9-18)24(31)28-16-14-27(15-17-28)21-12-6-7-13-25-21/h1-13H,14-17H2
InChIKeyIKVIZFRXIFTJAU-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.74
Rot. Bonds3

About 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one

2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one (PubChem CID 3353614) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
PubChem CID3353614
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H21N5O2/c30-23-20-11-5-4-10-19(20)22(26-29(23)18-8-2-1-3-9-18)24(31)28-16-14-27(15-17-28)21-12-6-7-13-25-21/h1-13H,14-17H2
InChIKeyIKVIZFRXIFTJAU-UHFFFAOYSA-N
XLogP2.74
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one (CID 3353614) is 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one is O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The InChIKey is IKVIZFRXIFTJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-23-20-11-5-4-10-19(20)22(26-29(23)18-8-2-1-3-9-18)24(31)28-16-14-27(15-17-28)21-12-6-7-13-25-21/h1-13H,14-17H2.
What are the key properties of 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one has a molecular weight of 411.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 3353614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).