N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H38N8O2 — CID 138403987

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138403987) has the molecular formula C28H38N8O2 and a molecular weight of 518.67 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 138403987
• Molecular Formula: C28H38N8O2
• Molecular Weight: 518.67 g/mol
• Exact Mass: 518.31
• IUPAC Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1CC(C)C(CNC(=O)c2cc(-c3cccnc3N3CCN(C)CC3)nc3c2cnn3C(C)C)C(=O)N1
• InChI: InChI=1S/C28H38N8O2/c1-17(2)36-26-23(16-31-36)21(27(37)30-15-22-18(3)13-19(4)32-28(22)38)14-24(33-26)20-7-6-8-29-25(20)35-11-9-34(5)10-12-35/h6-8,14,16-19,22H,9-13,15H2,1-5H3,(H,30,37)(H,32,38)
• InChIKey: NHBQQDBYXZNUSI-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 108.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.67
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 138403987) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1CC(C)C(CNC(=O)c2cc(-c3cccnc3N3CCN(C)CC3)nc3c2cnn3C(C)C)C(=O)N1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is NHBQQDBYXZNUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N8O2/c1-17(2)36-26-23(16-31-36)21(27(37)30-15-22-18(3)13-19(4)32-28(22)38)14-24(33-26)20-7-6-8-29-25(20)35-11-9-34(5)10-12-35/h6-8,14,16-19,22H,9-13,15H2,1-5H3,(H,30,37)(H,32,38).

What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 518.67 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138403987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).