N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide

C21H18N8O — CID 46988638

About N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide

N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide (PubChem CID 46988638) has the molecular formula C21H18N8O and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
• PubChem CID: 46988638
• Molecular Formula: C21H18N8O
• Molecular Weight: 398.43 g/mol
• Exact Mass: 398.16
• IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
• SMILES: Cc1cc(NC(=O)Cn2cc(-c3ccnc4[nH]ncc34)cn2)n(-c2ccccc2)n1
• InChI: InChI=1S/C21H18N8O/c1-14-9-19(29(27-14)16-5-3-2-4-6-16)25-20(30)13-28-12-15(10-24-28)17-7-8-22-21-18(17)11-23-26-21/h2-12H,13H2,1H3,(H,25,30)(H,22,23,26)
• InChIKey: GDEYZHGNZJIYBL-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 106.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.43
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?

The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide (CID 46988638) is N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide.

What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?

The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2cc(-c3ccnc4[nH]ncc34)cn2)n(-c2ccccc2)n1.

What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?

The InChIKey is GDEYZHGNZJIYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O/c1-14-9-19(29(27-14)16-5-3-2-4-6-16)25-20(30)13-28-12-15(10-24-28)17-7-8-22-21-18(17)11-23-26-21/h2-12H,13H2,1H3,(H,25,30)(H,22,23,26).

What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide?

N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide has a molecular weight of 398.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46988638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).