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

C24H22FN7O3 — CID 46911124

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

4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 46911124) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
• PubChem CID: 46911124
• Molecular Formula: C24H22FN7O3
• Molecular Weight: 475.48 g/mol
• Exact Mass: 475.18
• IUPAC Name: 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
• SMILES: CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3cnc(C)cn3)cc2n1
• InChI: InChI=1S/C24H22FN7O3/c1-3-32-13-17-19(30-32)7-15(23(33)29-21-12-26-14(2)10-27-21)8-20(17)35-16-9-18(25)22(28-11-16)24(34)31-5-4-6-31/h7-13H,3-6H2,1-2H3,(H,27,29,33)
• InChIKey: VRBFJTUHFBTQRQ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 115.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.48
LogP ≤ 5	3.58
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-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The IUPAC name of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 46911124) is 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-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-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?

The canonical SMILES for 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3cnc(C)cn3)cc2n1.

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

The InChIKey is VRBFJTUHFBTQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O3/c1-3-32-13-17-19(30-32)7-15(23(33)29-21-12-26-14(2)10-27-21)8-20(17)35-16-9-18(25)22(28-11-16)24(34)31-5-4-6-31/h7-13H,3-6H2,1-2H3,(H,27,29,33).

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

4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 475.48 g/mol, XLogP of 3.58, 6 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-ethyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 46911124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).