1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

C24H27F3N8O3 — CID 151838183

About 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 151838183) has the molecular formula C24H27F3N8O3 and a molecular weight of 532.53 g/mol. Its IUPAC name is 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
• PubChem CID: 151838183
• Molecular Formula: C24H27F3N8O3
• Molecular Weight: 532.53 g/mol
• Exact Mass: 532.22
• IUPAC Name: 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
• SMILES: Cn1cnc(NC(=O)CN2CC3C(Cc4c(C(N)=O)nc(Cc5cccc(OC(F)(F)F)c5)n4C)C3C2)n1
• InChI: InChI=1S/C24H27F3N8O3/c1-33-12-29-23(32-33)31-20(36)11-35-9-16-15(17(16)10-35)8-18-21(22(28)37)30-19(34(18)2)7-13-4-3-5-14(6-13)38-24(25,26)27/h3-6,12,15-17H,7-11H2,1-2H3,(H2,28,37)(H,31,32,36)
• InChIKey: SGCGNODMXIXLAK-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 133.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.53
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?

The IUPAC name of 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 151838183) is 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

What is the SMILES notation for 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?

The canonical SMILES for 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is Cn1cnc(NC(=O)CN2CC3C(Cc4c(C(N)=O)nc(Cc5cccc(OC(F)(F)F)c5)n4C)C3C2)n1.

What is the InChIKey of 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?

The InChIKey is SGCGNODMXIXLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O3/c1-33-12-29-23(32-33)31-20(36)11-35-9-16-15(17(16)10-35)8-18-21(22(28)37)30-19(34(18)2)7-13-4-3-5-14(6-13)38-24(25,26)27/h3-6,12,15-17H,7-11H2,1-2H3,(H2,28,37)(H,31,32,36).

What are the key properties of 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?

1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 532.53 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[[3-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 151838183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).