4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione

C46H51BrF6N8O6 — CID 161375306

About 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione

4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione (PubChem CID 161375306) has the molecular formula C46H51BrF6N8O6 and a molecular weight of 1005.86 g/mol. Its IUPAC name is 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione.

Molecular Properties

• Compound Name: 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione
• PubChem CID: 161375306
• Molecular Formula: C46H51BrF6N8O6
• Molecular Weight: 1005.86 g/mol
• Exact Mass: 1004.30
• IUPAC Name: 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione
• SMILES: CC(C)N1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CCN(c3cc[nH]c(=O)c3)C2)C1=O.CC(C)N1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CCNC2)C1=O.O=c1cc(Br)cc[nH]1
• InChI: InChI=1S/C23H25F3N4O3.C18H22F3N3O2.C5H4BrNO/c1-15(2)29-13-20(32)30(12-16-3-5-17(6-4-16)23(24,25)26)22(21(29)33)8-10-28(14-22)18-7-9-27-19(31)11-18;1-12(2)23-10-15(25)24(17(16(23)26)7-8-22-11-17)9-13-3-5-14(6-4-13)18(19,20)21;6-4-1-2-7-5(8)3-4/h3-7,9,11,15H,8,10,12-14H2,1-2H3,(H,27,31);3-6,12,22H,7-11H2,1-2H3;1-3H,(H,7,8)
• InChIKey: VQZPWJBAOWCRQK-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 162.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.86
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione?

The IUPAC name of 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione (CID 161375306) is 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione.

What is the SMILES notation for 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione?

The canonical SMILES for 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione is CC(C)N1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CCN(c3cc[nH]c(=O)c3)C2)C1=O.CC(C)N1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CCNC2)C1=O.O=c1cc(Br)cc[nH]1.

What is the InChIKey of 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione?

The InChIKey is VQZPWJBAOWCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3.C18H22F3N3O2.C5H4BrNO/c1-15(2)29-13-20(32)30(12-16-3-5-17(6-4-16)23(24,25)26)22(21(29)33)8-10-28(14-22)18-7-9-27-19(31)11-18;1-12(2)23-10-15(25)24(17(16(23)26)7-8-22-11-17)9-13-3-5-14(6-4-13)18(19,20)21;6-4-1-2-7-5(8)3-4/h3-7,9,11,15H,8,10,12-14H2,1-2H3,(H,27,31);3-6,12,22H,7-11H2,1-2H3;1-3H,(H,7,8).

What are the key properties of 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione?

4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione has a molecular weight of 1005.86 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 161375306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).