1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one

C20H26N6O — CID 56888522

IUPAC1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C20H26N6O/c1-14-7-5-10-17(27)26(14)12-6-11-21-19-16-13-22-25(2)20(16)24-18(23-19)15-8-3-4-9-15/h5,7,10,13,15H,3-4,6,8-9,11-12H2,1-2H3,(H,21,23,24)
InChIKeyHVSSNYZVDVJVFX-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.99
Rot. Bonds6

About 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one

1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one (PubChem CID 56888522) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
PubChem CID56888522
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C20H26N6O/c1-14-7-5-10-17(27)26(14)12-6-11-21-19-16-13-22-25(2)20(16)24-18(23-19)15-8-3-4-9-15/h5,7,10,13,15H,3-4,6,8-9,11-12H2,1-2H3,(H,21,23,24)
InChIKeyHVSSNYZVDVJVFX-UHFFFAOYSA-N
XLogP2.99
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-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 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one (CID 56888522) is 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCCNc1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one?
The InChIKey is HVSSNYZVDVJVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-7-5-10-17(27)26(14)12-6-11-21-19-16-13-22-25(2)20(16)24-18(23-19)15-8-3-4-9-15/h5,7,10,13,15H,3-4,6,8-9,11-12H2,1-2H3,(H,21,23,24).
What are the key properties of 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one?
1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56888522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).