N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C20H25N5O — CID 19489239

About N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 19489239) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
• PubChem CID: 19489239
• Molecular Formula: C20H25N5O
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.21
• IUPAC Name: N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
• SMILES: Cc1nn(CC(=O)NCCCN(C)C)c2nccc(-c3ccccc3)c12
• InChI: InChI=1S/C20H25N5O/c1-15-19-17(16-8-5-4-6-9-16)10-12-22-20(19)25(23-15)14-18(26)21-11-7-13-24(2)3/h4-6,8-10,12H,7,11,13-14H2,1-3H3,(H,21,26)
• InChIKey: BGZCBYYONUVHKB-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 19489239) is N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is Cc1nn(CC(=O)NCCCN(C)C)c2nccc(-c3ccccc3)c12.

What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?

The InChIKey is BGZCBYYONUVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-19-17(16-8-5-4-6-9-16)10-12-22-20(19)25(23-15)14-18(26)21-11-7-13-24(2)3/h4-6,8-10,12H,7,11,13-14H2,1-3H3,(H,21,26).

What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?

N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 19489239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).