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

C27H36N8O2 — CID 138403989

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-(2-piperazin-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-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138403989) has the molecular formula C27H36N8O2 and a molecular weight of 504.64 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-(2-piperazin-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-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 138403989
• Molecular Formula: C27H36N8O2
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.30
• IUPAC Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-(2-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1CC(C)C(CNC(=O)c2cc(-c3cccnc3N3CCNCC3)nc3c2cnn3C(C)C)C(=O)N1
• InChI: InChI=1S/C27H36N8O2/c1-16(2)35-25-22(15-31-35)20(26(36)30-14-21-17(3)12-18(4)32-27(21)37)13-23(33-25)19-6-5-7-29-24(19)34-10-8-28-9-11-34/h5-7,13,15-18,21,28H,8-12,14H2,1-4H3,(H,30,36)(H,32,37)
• InChIKey: FBADJAPEIZQNNJ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 117.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
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-piperazin-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-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 138403989) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-(2-piperazin-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-piperazin-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-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1CC(C)C(CNC(=O)c2cc(-c3cccnc3N3CCNCC3)nc3c2cnn3C(C)C)C(=O)N1.

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

The InChIKey is FBADJAPEIZQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O2/c1-16(2)35-25-22(15-31-35)20(26(36)30-14-21-17(3)12-18(4)32-27(21)37)13-23(33-25)19-6-5-7-29-24(19)34-10-8-28-9-11-34/h5-7,13,15-18,21,28H,8-12,14H2,1-4H3,(H,30,36)(H,32,37).

What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-(2-piperazin-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-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 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-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138403989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).