4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

C23H20FN7O3 — CID 71461227

About 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 71461227) has the molecular formula C23H20FN7O3 and a molecular weight of 461.46 g/mol. Its IUPAC name is 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
• PubChem CID: 71461227
• Molecular Formula: C23H20FN7O3
• Molecular Weight: 461.46 g/mol
• Exact Mass: 461.16
• IUPAC Name: 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
• SMILES: Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)c(F)c3)c3cn(C)nc3c2)cn1
• InChI: InChI=1S/C23H20FN7O3/c1-13-9-26-20(11-25-13)28-22(32)14-6-18-16(12-30(2)29-18)19(7-14)34-15-8-17(24)21(27-10-15)23(33)31-4-3-5-31/h6-12H,3-5H2,1-2H3,(H,26,28,32)
• InChIKey: UPZVKDRGBJLNEM-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 115.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.46
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The IUPAC name of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 71461227) is 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

What is the SMILES notation for 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The canonical SMILES for 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)c(F)c3)c3cn(C)nc3c2)cn1.

What is the InChIKey of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The InChIKey is UPZVKDRGBJLNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O3/c1-13-9-26-20(11-25-13)28-22(32)14-6-18-16(12-30(2)29-18)19(7-14)34-15-8-17(24)21(27-10-15)23(33)31-4-3-5-31/h6-12H,3-5H2,1-2H3,(H,26,28,32).

What are the key properties of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 461.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 71461227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).