2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C14H22N4O — CID 135869425

IUPAC2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCCCCCCCn1cc2c(=O)[nH]cnc2n1
InChIInChI=1S/C14H22N4O/c1-2-3-4-5-6-7-8-9-18-10-12-13(17-18)15-11-16-14(12)19/h10-11H,2-9H2,1H3,(H,15,16,17,19)
InChIKeyAYRZXXNKZTUZIK-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.87
Rot. Bonds8

About 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135869425) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135869425
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCCCCCCCn1cc2c(=O)[nH]cnc2n1
InChIInChI=1S/C14H22N4O/c1-2-3-4-5-6-7-8-9-18-10-12-13(17-18)15-11-16-14(12)19/h10-11H,2-9H2,1H3,(H,15,16,17,19)
InChIKeyAYRZXXNKZTUZIK-UHFFFAOYSA-N
XLogP2.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-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

1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
6-(Cyclohexylmethyl)-1-(1-ethylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135422930
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
[7-(6-Amino-4-oxo-4,5-dihydro-pyrazolo[3,4-d]pyrimidin-1-yl)-heptyl]-phosphonic acid
CID 135467717
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135400935
2-decyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869414
2-undecyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869426
[8-(6-Amino-4-oxo-4,5-dihydro-pyrazolo[3,4-d]pyrimidin-1-yl)-octyl]-phosphonic acid
CID 135493492

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135869425) is 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is CCCCCCCCCn1cc2c(=O)[nH]cnc2n1.
What is the InChIKey of 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is AYRZXXNKZTUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-3-4-5-6-7-8-9-18-10-12-13(17-18)15-11-16-14(12)19/h10-11H,2-9H2,1H3,(H,15,16,17,19).
What are the key properties of 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 262.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135869425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).