T02

C₁₇H₁₆ClN₃O₂ — CID 129147662

About T02

T02 (PubChem CID 129147662) has the molecular formula C₁₇H₁₆ClN₃O₂ and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: T02
• PubChem CID: 129147662
• Molecular Formula: C₁₇H₁₆ClN₃O₂
• Molecular Weight: 329.79 g/mol
• Exact Mass: 329.09
• IUPAC Name: 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
• SMILES: Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1
• InChI: InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
• InChIKey: LRMOBVZLNQXLBI-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 68.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.79
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of T02?

The IUPAC name of T02 (CID 129147662) is 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

What is the SMILES notation for T02?

The canonical SMILES for T02 is Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1.

What is the InChIKey of T02?

The InChIKey is LRMOBVZLNQXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23).

What are the key properties of T02?

T02 has a molecular weight of 329.79 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for T02 is sourced from PubChem (CID 129147662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129147662 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.