3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C28H34FN5O3 — CID 126742171

About 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742171) has the molecular formula C28H34FN5O3 and a molecular weight of 507.61 g/mol. Its IUPAC name is 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 126742171
• Molecular Formula: C28H34FN5O3
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.26
• IUPAC Name: 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: CC1(C)CN(C2CCN(c3cc(C(=O)O)nc4c3c(C3CCC3)nn4-c3ccc(F)cc3)CC2)CCO1
• InChI: InChI=1S/C28H34FN5O3/c1-28(2)17-33(14-15-37-28)20-10-12-32(13-11-20)23-16-22(27(35)36)30-26-24(23)25(18-4-3-5-18)31-34(26)21-8-6-19(29)7-9-21/h6-9,16,18,20H,3-5,10-15,17H2,1-2H3,(H,35,36)
• InChIKey: WWPVSQGORZCDOD-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 83.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The IUPAC name of 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742171) is 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The canonical SMILES for 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is CC1(C)CN(C2CCN(c3cc(C(=O)O)nc4c3c(C3CCC3)nn4-c3ccc(F)cc3)CC2)CCO1.

What is the InChIKey of 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The InChIKey is WWPVSQGORZCDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O3/c1-28(2)17-33(14-15-37-28)20-10-12-32(13-11-20)23-16-22(27(35)36)30-26-24(23)25(18-4-3-5-18)31-34(26)21-8-6-19(29)7-9-21/h6-9,16,18,20H,3-5,10-15,17H2,1-2H3,(H,35,36).

What are the key properties of 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 507.61 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-4-[4-(2,2-dimethylmorpholin-4-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).