4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one

C19H18N8O2 — CID 16589606

IUPAC4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESCn1ncc2c(N3CCN(C(=O)c4n[nH]c(=O)c5ccccc45)CC3)ncnc21
InChIInChI=1S/C19H18N8O2/c1-25-16-14(10-22-25)17(21-11-20-16)26-6-8-27(9-7-26)19(29)15-12-4-2-3-5-13(12)18(28)24-23-15/h2-5,10-11H,6-9H2,1H3,(H,24,28)
InChIKeyWSINZXMAHQZPLM-UHFFFAOYSA-N
MW390.41 g/mol
LogP0.56
Rot. Bonds2

About 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one

4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 16589606) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID16589606
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESCn1ncc2c(N3CCN(C(=O)c4n[nH]c(=O)c5ccccc45)CC3)ncnc21
InChIInChI=1S/C19H18N8O2/c1-25-16-14(10-22-25)17(21-11-20-16)26-6-8-27(9-7-26)19(29)15-12-4-2-3-5-13(12)18(28)24-23-15/h2-5,10-11H,6-9H2,1H3,(H,24,28)
InChIKeyWSINZXMAHQZPLM-UHFFFAOYSA-N
XLogP0.56
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 17489095
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123711
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 16617347
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 16617432
(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 29327180
(3-methyl-2-nitrophenyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16962649
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 4826323
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2118213
4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 18138912

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one (CID 16589606) is 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one is Cn1ncc2c(N3CCN(C(=O)c4n[nH]c(=O)c5ccccc45)CC3)ncnc21.
What is the InChIKey of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is WSINZXMAHQZPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-25-16-14(10-22-25)17(21-11-20-16)26-6-8-27(9-7-26)19(29)15-12-4-2-3-5-13(12)18(28)24-23-15/h2-5,10-11H,6-9H2,1H3,(H,24,28).
What are the key properties of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 390.41 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 16589606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).