methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate

C16H12N6O3 — CID 66495608

About methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495608) has the molecular formula C16H12N6O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 66495608
• Molecular Formula: C16H12N6O3
• Molecular Weight: 336.31 g/mol
• Exact Mass: 336.10
• IUPAC Name: methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(-c2ncn[nH]2)cc2c(=O)n(-c3ccccc3)nc1-2
• InChI: InChI=1S/C16H12N6O3/c1-25-15(24)12-8-21(16-17-9-18-19-16)7-11-13(12)20-22(14(11)23)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18,19)
• InChIKey: CPJLECMGOWVPSM-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 107.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.31
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495608) is methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ncn[nH]2)cc2c(=O)n(-c3ccccc3)nc1-2.

What is the InChIKey of methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is CPJLECMGOWVPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O3/c1-25-15(24)12-8-21(16-17-9-18-19-16)7-11-13(12)20-22(14(11)23)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18,19).

What are the key properties of methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 336.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).