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

C26H22F5N5O — CID 118382148

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

5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382148) has the molecular formula C26H22F5N5O and a molecular weight of 515.49 g/mol. Its IUPAC name is 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382148
• Molecular Formula: C26H22F5N5O
• Molecular Weight: 515.49 g/mol
• Exact Mass: 515.17
• IUPAC Name: 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cc(CN4CCCCC4)cc(F)c3F)cc12
• InChI: InChI=1S/C26H22F5N5O/c27-20-12-15(14-36-9-2-1-3-10-36)11-17(22(20)28)16-6-7-21-18(13-16)23(35-34-21)25(37)33-24-19(26(29,30)31)5-4-8-32-24/h4-8,11-13H,1-3,9-10,14H2,(H,34,35)(H,32,33,37)
• InChIKey: VWIRNGPVJGYQBL-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.49
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (CID 118382148) is 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cc(CN4CCCCC4)cc(F)c3F)cc12.

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

The InChIKey is VWIRNGPVJGYQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F5N5O/c27-20-12-15(14-36-9-2-1-3-10-36)11-17(22(20)28)16-6-7-21-18(13-16)23(35-34-21)25(37)33-24-19(26(29,30)31)5-4-8-32-24/h4-8,11-13H,1-3,9-10,14H2,(H,34,35)(H,32,33,37).

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

5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 515.49 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).