N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

C25H28F3N7O4S — CID 123598717

About N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 123598717) has the molecular formula C25H28F3N7O4S and a molecular weight of 579.61 g/mol. Its IUPAC name is N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
• PubChem CID: 123598717
• Molecular Formula: C25H28F3N7O4S
• Molecular Weight: 579.61 g/mol
• Exact Mass: 579.19
• IUPAC Name: N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
• SMILES: CC(C)C(NC(=O)c1nc(C(F)(F)F)cs1)C(=O)N1CCC2(CC1)C(O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
• InChI: InChI=1S/C25H28F3N7O4S/c1-13(2)18(31-19(36)20-30-17(12-40-20)25(26,27)28)21(37)34-8-6-24(7-9-34)22(38)33(3)23(39)35(24)15-4-5-16-14(10-15)11-29-32-16/h4-5,10-13,18,22,38H,6-9H2,1-3H3,(H,29,32)(H,31,36)
• InChIKey: NTDSSMKLIZVWDJ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 134.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.61
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (CID 123598717) is N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is CC(C)C(NC(=O)c1nc(C(F)(F)F)cs1)C(=O)N1CCC2(CC1)C(O)N(C)C(=O)N2c1ccc2[nH]ncc2c1.

What is the InChIKey of N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?

The InChIKey is NTDSSMKLIZVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N7O4S/c1-13(2)18(31-19(36)20-30-17(12-40-20)25(26,27)28)21(37)34-8-6-24(7-9-34)22(38)33(3)23(39)35(24)15-4-5-16-14(10-15)11-29-32-16/h4-5,10-13,18,22,38H,6-9H2,1-3H3,(H,29,32)(H,31,36).

What are the key properties of N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?

N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 579.61 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-hydroxy-1-(1H-indazol-5-yl)-3-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123598717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).