5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

C25H23F3N6O — CID 118381239

About 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381239) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118381239
• Molecular Formula: C25H23F3N6O
• Molecular Weight: 480.49 g/mol
• Exact Mass: 480.19
• IUPAC Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
• InChI: InChI=1S/C25H23F3N6O/c26-25(27,28)19-5-7-22(30-14-19)31-24(35)23-20-11-17(4-6-21(20)32-33-23)18-10-16(12-29-13-18)15-34-8-2-1-3-9-34/h4-7,10-14H,1-3,8-9,15H2,(H,32,33)(H,30,31,35)
• InChIKey: JPDZJTQRSPOKQM-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.49
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (CID 118381239) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.

What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is JPDZJTQRSPOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O/c26-25(27,28)19-5-7-22(30-14-19)31-24(35)23-20-11-17(4-6-21(20)32-33-23)18-10-16(12-29-13-18)15-34-8-2-1-3-9-34/h4-7,10-14H,1-3,8-9,15H2,(H,32,33)(H,30,31,35).

What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).