4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide

C28H32N6O2 — CID 171537621

About 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide

4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 171537621) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide
• PubChem CID: 171537621
• Molecular Formula: C28H32N6O2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.26
• IUPAC Name: 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide
• SMILES: CCc1cc(-c2cc(Oc3cnc4c(C)nn(C)c4c3)ccn2)ccc1C(=O)NC1CCN(C)CC1
• InChI: InChI=1S/C28H32N6O2/c1-5-19-14-20(6-7-24(19)28(35)31-21-9-12-33(3)13-10-21)25-15-22(8-11-29-25)36-23-16-26-27(30-17-23)18(2)32-34(26)4/h6-8,11,14-17,21H,5,9-10,12-13H2,1-4H3,(H,31,35)
• InChIKey: QDRFSCZOORTQGE-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide?

The IUPAC name of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide (CID 171537621) is 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide.

What is the SMILES notation for 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide?

The canonical SMILES for 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide is CCc1cc(-c2cc(Oc3cnc4c(C)nn(C)c4c3)ccn2)ccc1C(=O)NC1CCN(C)CC1.

What is the InChIKey of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide?

The InChIKey is QDRFSCZOORTQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-5-19-14-20(6-7-24(19)28(35)31-21-9-12-33(3)13-10-21)25-15-22(8-11-29-25)36-23-16-26-27(30-17-23)18(2)32-34(26)4/h6-8,11,14-17,21H,5,9-10,12-13H2,1-4H3,(H,31,35).

What are the key properties of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide?

4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 484.60 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 171537621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).