6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C23H27N5O2 — CID 167745423

About 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 167745423) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 167745423
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NCC2(c3ccccc3)CCCC(=O)N2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C23H27N5O2/c1-15(2)28-21-19(13-25-28)18(12-16(3)26-21)22(30)24-14-23(11-7-10-20(29)27-23)17-8-5-4-6-9-17/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,24,30)(H,27,29)
• InChIKey: YYFKVFBFZBUXMA-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 167745423) is 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2(c3ccccc3)CCCC(=O)N2)c2cnn(C(C)C)c2n1.

What is the InChIKey of 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is YYFKVFBFZBUXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)28-21-19(13-25-28)18(12-16(3)26-21)22(30)24-14-23(11-7-10-20(29)27-23)17-8-5-4-6-9-17/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,24,30)(H,27,29).

What are the key properties of 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167745423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).