N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C26H29F3N6O2 — CID 118173128

About N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173128) has the molecular formula C26H29F3N6O2 and a molecular weight of 514.55 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 118173128
• Molecular Formula: C26H29F3N6O2
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.23
• IUPAC Name: N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc2nn(CC(=O)N3CCC(N4CCCCC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C26H29F3N6O2/c27-26(28,29)23-6-4-5-22(31-23)25(37)30-19-7-8-21-18(15-19)16-35(32-21)17-24(36)34-13-9-20(10-14-34)33-11-2-1-3-12-33/h4-8,15-16,20H,1-3,9-14,17H2,(H,30,37)
• InChIKey: LJZOOECSMWIPBG-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173128) is N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCC(N4CCCCC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is LJZOOECSMWIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O2/c27-26(28,29)23-6-4-5-22(31-23)25(37)30-19-7-8-21-18(15-19)16-35(32-21)17-24(36)34-13-9-20(10-14-34)33-11-2-1-3-12-33/h4-8,15-16,20H,1-3,9-14,17H2,(H,30,37).

What are the key properties of N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 514.55 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).