2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

C47H36F3N11O7 — CID 173105185

About 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 173105185) has the molecular formula C47H36F3N11O7 and a molecular weight of 923.87 g/mol. Its IUPAC name is 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
• PubChem CID: 173105185
• Molecular Formula: C47H36F3N11O7
• Molecular Weight: 923.87 g/mol
• Exact Mass: 923.28
• IUPAC Name: 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
• SMILES: COC(=O)c1ccn2ncc(C=O)c2c1.Cc1ccn2nc(C)c(C=O)c2c1.Cc1ccn2ncc(C=O)c2c1.N#Cc1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(C(F)(F)F)cc12
• InChI: InChI=1S/C10H8N2O3.C10H10N2O.C9H5F3N2O.C9H5N3O.C9H8N2O/c1-15-10(14)7-2-3-12-9(4-7)8(6-13)5-11-12;1-7-3-4-12-10(5-7)9(6-13)8(2)11-12;10-9(11,12)7-1-2-14-8(3-7)6(5-15)4-13-14;10-4-7-1-2-12-9(3-7)8(6-13)5-11-12;1-7-2-3-11-9(4-7)8(6-12)5-10-11/h2-6H,1H3;3-6H,1-2H3;1-5H;1-3,5-6H;2-6H,1H3
• InChIKey: HEQLBERJLYXKJT-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 221.94 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.87
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?

The IUPAC name of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 173105185) is 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.

What is the SMILES notation for 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?

The canonical SMILES for 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is COC(=O)c1ccn2ncc(C=O)c2c1.Cc1ccn2nc(C)c(C=O)c2c1.Cc1ccn2ncc(C=O)c2c1.N#Cc1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(C(F)(F)F)cc12.

What is the InChIKey of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?

The InChIKey is HEQLBERJLYXKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3.C10H10N2O.C9H5F3N2O.C9H5N3O.C9H8N2O/c1-15-10(14)7-2-3-12-9(4-7)8(6-13)5-11-12;1-7-3-4-12-10(5-7)9(6-13)8(2)11-12;10-9(11,12)7-1-2-14-8(3-7)6(5-15)4-13-14;10-4-7-1-2-12-9(3-7)8(6-13)5-11-12;1-7-2-3-11-9(4-7)8(6-12)5-10-11/h2-6H,1H3;3-6H,1-2H3;1-5H;1-3,5-6H;2-6H,1H3.

What are the key properties of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?

2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 923.87 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 173105185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).