3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H27N7O4 — CID 169206680

About 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169206680) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 169206680
• Molecular Formula: C25H27N7O4
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.21
• IUPAC Name: 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Nc1n[nH]c2c(CN3CCC(O)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
• InChI: InChI=1S/C25H27N7O4/c26-23-22-21(29-30-23)15(11-31-7-5-16(33)6-8-31)10-18(27-22)13-1-2-17-14(9-13)12-32(25(17)36)19-3-4-20(34)28-24(19)35/h1-2,9-10,16,19,33H,3-8,11-12H2,(H3,26,29,30)(H,28,34,35)
• InChIKey: BGFLDJOEVMSRJT-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 157.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169206680) is 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Nc1n[nH]c2c(CN3CCC(O)CC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12.

What is the InChIKey of 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BGFLDJOEVMSRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c26-23-22-21(29-30-23)15(11-31-7-5-16(33)6-8-31)10-18(27-22)13-1-2-17-14(9-13)12-32(25(17)36)19-3-4-20(34)28-24(19)35/h1-2,9-10,16,19,33H,3-8,11-12H2,(H3,26,29,30)(H,28,34,35).

What are the key properties of 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 489.54 g/mol, XLogP of 0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169206680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).