4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

C21H20N8O3 — CID 46909841

About 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 46909841) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
• PubChem CID: 46909841
• Molecular Formula: C21H20N8O3
• Molecular Weight: 432.44 g/mol
• Exact Mass: 432.17
• IUPAC Name: 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
• SMILES: Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cn(C)nc3c2)cn1
• InChI: InChI=1S/C21H20N8O3/c1-12-7-24-18(9-22-12)26-20(30)13-5-15-14(11-29(4)27-15)17(6-13)32-19-10-23-16(8-25-19)21(31)28(2)3/h5-11H,1-4H3,(H,24,26,30)
• InChIKey: CXVAKQOAJSWZLY-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 128.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.44
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The IUPAC name of 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 46909841) is 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

What is the SMILES notation for 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The canonical SMILES for 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cn(C)nc3c2)cn1.

What is the InChIKey of 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The InChIKey is CXVAKQOAJSWZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c1-12-7-24-18(9-22-12)26-20(30)13-5-15-14(11-29(4)27-15)17(6-13)32-19-10-23-16(8-25-19)21(31)28(2)3/h5-11H,1-4H3,(H,24,26,30).

What are the key properties of 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 46909841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).