2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one

C20H22N6O2 — CID 138999284

IUPAC2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCN(c3cnccn3)CC2)c2ccccc2c1=O
InChIInChI=1S/C20H22N6O2/c1-14(2)26-19(27)16-6-4-3-5-15(16)18(23-26)20(28)25-11-9-24(10-12-25)17-13-21-7-8-22-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQYILNGZAQZUEGB-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.73
Rot. Bonds3

About 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one

2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one (PubChem CID 138999284) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
PubChem CID138999284
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCN(c3cnccn3)CC2)c2ccccc2c1=O
InChIInChI=1S/C20H22N6O2/c1-14(2)26-19(27)16-6-4-3-5-15(16)18(23-26)20(28)25-11-9-24(10-12-25)17-13-21-7-8-22-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQYILNGZAQZUEGB-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 139008351
2-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phthalazin-1-one
CID 51306307
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 78769386
2-propan-2-yl-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one
CID 51262953
4-(4-benzhydrylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 51545065
1-morpholin-4-yl-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 55447504
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78848532
4-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 87029858
4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 56810545
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 55563618
2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one
CID 2551523

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one (CID 138999284) is 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one is CC(C)n1nc(C(=O)N2CCN(c3cnccn3)CC2)c2ccccc2c1=O.
What is the InChIKey of 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The InChIKey is QYILNGZAQZUEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14(2)26-19(27)16-6-4-3-5-15(16)18(23-26)20(28)25-11-9-24(10-12-25)17-13-21-7-8-22-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one has a molecular weight of 378.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 138999284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).