5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

C26H25F3N6O — CID 118382108

About 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382108) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382108
• Molecular Formula: C26H25F3N6O
• Molecular Weight: 494.52 g/mol
• Exact Mass: 494.20
• IUPAC Name: 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(C(F)(F)F)cn5)c4c3)c2)CC1
• InChI: InChI=1S/C26H25F3N6O/c1-16-6-8-35(9-7-16)15-17-10-19(13-30-12-17)18-2-4-22-21(11-18)24(34-33-22)25(36)32-23-5-3-20(14-31-23)26(27,28)29/h2-5,10-14,16H,6-9,15H2,1H3,(H,33,34)(H,31,32,36)
• InChIKey: JIVHRRBKFFISFF-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.52
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (CID 118382108) is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(C(F)(F)F)cn5)c4c3)c2)CC1.

What is the InChIKey of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is JIVHRRBKFFISFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O/c1-16-6-8-35(9-7-16)15-17-10-19(13-30-12-17)18-2-4-22-21(11-18)24(34-33-22)25(36)32-23-5-3-20(14-31-23)26(27,28)29/h2-5,10-14,16H,6-9,15H2,1H3,(H,33,34)(H,31,32,36).

What are the key properties of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).