5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C25H15F3N4O2 — CID 118381811

About 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381811) has the molecular formula C25H15F3N4O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118381811
• Molecular Formula: C25H15F3N4O2
• Molecular Weight: 460.42 g/mol
• Exact Mass: 460.11
• IUPAC Name: 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
• InChI: InChI=1S/C25H15F3N4O2/c26-15-3-1-4-17(12-15)34-22-10-8-16(13-29-22)30-25(33)24-19-11-14(7-9-21(19)31-32-24)18-5-2-6-20(27)23(18)28/h1-13H,(H,30,33)(H,31,32)
• InChIKey: ZVTQYAVKBCPWEV-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.42
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381811) is 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.

What is the InChIKey of 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is ZVTQYAVKBCPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4O2/c26-15-3-1-4-17(12-15)34-22-10-8-16(13-29-22)30-25(33)24-19-11-14(7-9-21(19)31-32-24)18-5-2-6-20(27)23(18)28/h1-13H,(H,30,33)(H,31,32).

What are the key properties of 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).