N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide

C26H25F3N6O4 — CID 144940424

About N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide

N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 144940424) has the molecular formula C26H25F3N6O4 and a molecular weight of 542.52 g/mol. Its IUPAC name is N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide
• PubChem CID: 144940424
• Molecular Formula: C26H25F3N6O4
• Molecular Weight: 542.52 g/mol
• Exact Mass: 542.19
• IUPAC Name: N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
• InChI: InChI=1S/C26H25F3N6O4/c1-15-3-4-17(26(27,28)29)12-19(15)22(37)30-14-21(36)34-9-7-25(8-10-34)23(38)33(2)24(39)35(25)18-5-6-20-16(11-18)13-31-32-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,30,37)(H,31,32)
• InChIKey: VKZNETQCNOSPIM-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 118.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.52
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide (CID 144940424) is N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide is Cc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1.

What is the InChIKey of N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

The InChIKey is VKZNETQCNOSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O4/c1-15-3-4-17(26(27,28)29)12-19(15)22(37)30-14-21(36)34-9-7-25(8-10-34)23(38)33(2)24(39)35(25)18-5-6-20-16(11-18)13-31-32-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,30,37)(H,31,32).

What are the key properties of N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 542.52 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 144940424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).