N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C24H26F3N7O4 — CID 118061020

About N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 118061020) has the molecular formula C24H26F3N7O4 and a molecular weight of 533.51 g/mol. Its IUPAC name is N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 118061020
• Molecular Formula: C24H26F3N7O4
• Molecular Weight: 533.51 g/mol
• Exact Mass: 533.20
• IUPAC Name: N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• SMILES: Cn1cc(NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)c(N2CCC3(CCC(O)CC3)C2=O)n1
• InChI: InChI=1S/C24H26F3N7O4/c1-33-11-16(19(32-33)34-9-7-23(22(34)37)5-2-15(35)3-6-23)30-20(36)17-12-38-21(31-17)14-4-8-28-18(10-14)29-13-24(25,26)27/h4,8,10-12,15,35H,2-3,5-7,9,13H2,1H3,(H,28,29)(H,30,36)
• InChIKey: BCRIMEUEYSGDCU-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 138.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.51
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 118061020) is N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is Cn1cc(NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)c(N2CCC3(CCC(O)CC3)C2=O)n1.

What is the InChIKey of N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The InChIKey is BCRIMEUEYSGDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O4/c1-33-11-16(19(32-33)34-9-7-23(22(34)37)5-2-15(35)3-6-23)30-20(36)17-12-38-21(31-17)14-4-8-28-18(10-14)29-13-24(25,26)27/h4,8,10-12,15,35H,2-3,5-7,9,13H2,1H3,(H,28,29)(H,30,36).

What are the key properties of N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 533.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(8-hydroxy-1-oxo-2-azaspiro[4.5]decan-2-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118061020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).