1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide

C20H17N5 — CID 164619159

IUPAC1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCn1nc(-c2ccccc2)c2cc(/C(N)=N/c3ccccc3)ncc21
InChIInChI=1S/C20H17N5/c1-25-18-13-22-17(20(21)23-15-10-6-3-7-11-15)12-16(18)19(24-25)14-8-4-2-5-9-14/h2-13H,1H3,(H2,21,23)
InChIKeyZBGKWXVWUZHLQL-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.67
Rot. Bonds3

About 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide

1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide (PubChem CID 164619159) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide
PubChem CID164619159
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCn1nc(-c2ccccc2)c2cc(/C(N)=N/c3ccccc3)ncc21
InChIInChI=1S/C20H17N5/c1-25-18-13-22-17(20(21)23-15-10-6-3-7-11-15)12-16(18)19(24-25)14-8-4-2-5-9-14/h2-13H,1H3,(H2,21,23)
InChIKeyZBGKWXVWUZHLQL-UHFFFAOYSA-N
XLogP3.67
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide 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-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The IUPAC name of 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide (CID 164619159) is 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide.
What is the SMILES notation for 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The canonical SMILES for 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide is Cn1nc(-c2ccccc2)c2cc(/C(N)=N/c3ccccc3)ncc21.
What is the InChIKey of 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The InChIKey is ZBGKWXVWUZHLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-25-18-13-22-17(20(21)23-15-10-6-3-7-11-15)12-16(18)19(24-25)14-8-4-2-5-9-14/h2-13H,1H3,(H2,21,23).
What are the key properties of 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide has a molecular weight of 327.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N',3-diphenylpyrazolo[3,4-c]pyridine-5-carboximidamide is sourced from PubChem (CID 164619159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).