N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H28F3N5O2 — CID 155448667

About N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155448667) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155448667
• Molecular Formula: C25H28F3N5O2
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.22
• IUPAC Name: N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: O=C(Nc1cc2cn(C3CCCCC3)nc2cc1N1CCC(O)CC1)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C25H28F3N5O2/c26-25(27,28)23-8-4-7-19(29-23)24(35)30-21-13-16-15-33(17-5-2-1-3-6-17)31-20(16)14-22(21)32-11-9-18(34)10-12-32/h4,7-8,13-15,17-18,34H,1-3,5-6,9-12H2,(H,30,35)
• InChIKey: BTIHCCFMTBMEBK-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 83.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155448667) is N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(C3CCCCC3)nc2cc1N1CCC(O)CC1)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is BTIHCCFMTBMEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c26-25(27,28)23-8-4-7-19(29-23)24(35)30-21-13-16-15-33(17-5-2-1-3-6-17)31-20(16)14-22(21)32-11-9-18(34)10-12-32/h4,7-8,13-15,17-18,34H,1-3,5-6,9-12H2,(H,30,35).

What are the key properties of N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155448667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).