1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C18H20N6O — CID 4684625

IUPAC1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H20N6O/c25-16-8-4-10-23(16)11-5-9-19-17-15-12-22-24(18(15)21-13-20-17)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,20,21)
InChIKeyBWUWGGYWPBZTHF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.24
Rot. Bonds6

About 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 4684625) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID4684625
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H20N6O/c25-16-8-4-10-23(16)11-5-9-19-17-15-12-22-24(18(15)21-13-20-17)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,20,21)
InChIKeyBWUWGGYWPBZTHF-UHFFFAOYSA-N
XLogP2.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-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-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 4684625) is 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is BWUWGGYWPBZTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-16-8-4-10-23(16)11-5-9-19-17-15-12-22-24(18(15)21-13-20-17)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,20,21).
What are the key properties of 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 4684625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).