2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one

C16H20N8O — CID 163352035

IUPAC2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCN(c3ncnc4[nH]ncc34)CC2)ccc1=O
InChIInChI=1S/C16H20N8O/c1-11(2)24-14(25)4-3-13(21-24)22-5-7-23(8-6-22)16-12-9-19-20-15(12)17-10-18-16/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyJGGRQJASVHGZAR-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.82
Rot. Bonds3

About 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one

2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 163352035) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID163352035
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCN(c3ncnc4[nH]ncc34)CC2)ccc1=O
InChIInChI=1S/C16H20N8O/c1-11(2)24-14(25)4-3-13(21-24)22-5-7-23(8-6-22)16-12-9-19-20-15(12)17-10-18-16/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyJGGRQJASVHGZAR-UHFFFAOYSA-N
XLogP0.82
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one (CID 163352035) is 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one is CC(C)n1nc(N2CCN(c3ncnc4[nH]ncc34)CC2)ccc1=O.
What is the InChIKey of 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is JGGRQJASVHGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-11(2)24-14(25)4-3-13(21-24)22-5-7-23(8-6-22)16-12-9-19-20-15(12)17-10-18-16/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 340.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 163352035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).