6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C17H12N6O3 — CID 122190833

IUPAC6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H12N6O3/c1-11-20-16-14(10-19-22(16)12-5-3-2-4-6-12)17(24)21(11)15-8-7-13(9-18-15)23(25)26/h2-10H,1H3
InChIKeyYGZMHAMUYJGNJS-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.18
Rot. Bonds3

About 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 122190833) has the molecular formula C17H12N6O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID122190833
Molecular FormulaC17H12N6O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H12N6O3/c1-11-20-16-14(10-19-22(16)12-5-3-2-4-6-12)17(24)21(11)15-8-7-13(9-18-15)23(25)26/h2-10H,1H3
InChIKeyYGZMHAMUYJGNJS-UHFFFAOYSA-N
XLogP2.18
TPSA108.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 122190833) is 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YGZMHAMUYJGNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O3/c1-11-20-16-14(10-19-22(16)12-5-3-2-4-6-12)17(24)21(11)15-8-7-13(9-18-15)23(25)26/h2-10H,1H3.
What are the key properties of 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 348.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(5-nitro-2-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 122190833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).