2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one

C16H19N7O — CID 126934530

IUPAC2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCn1cc2c(NC3CCC(n4ncccc4=O)CC3)ncnc2n1
InChIInChI=1S/C16H19N7O/c1-22-9-13-15(17-10-18-16(13)21-22)20-11-4-6-12(7-5-11)23-14(24)3-2-8-19-23/h2-3,8-12H,4-7H2,1H3,(H,17,18,20,21)
InChIKeyNQYXCWBXUHHLNO-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.52
Rot. Bonds3

About 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one

2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934530) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934530
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCn1cc2c(NC3CCC(n4ncccc4=O)CC3)ncnc2n1
InChIInChI=1S/C16H19N7O/c1-22-9-13-15(17-10-18-16(13)21-22)20-11-4-6-12(7-5-11)23-14(24)3-2-8-19-23/h2-3,8-12H,4-7H2,1H3,(H,17,18,20,21)
InChIKeyNQYXCWBXUHHLNO-UHFFFAOYSA-N
XLogP1.52
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one (CID 126934530) is 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one is Cn1cc2c(NC3CCC(n4ncccc4=O)CC3)ncnc2n1.
What is the InChIKey of 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is NQYXCWBXUHHLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-22-9-13-15(17-10-18-16(13)21-22)20-11-4-6-12(7-5-11)23-14(24)3-2-8-19-23/h2-3,8-12H,4-7H2,1H3,(H,17,18,20,21).
What are the key properties of 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 325.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).