5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide

C25H21F3N8O2 — CID 158896964

About 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide

5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 158896964) has the molecular formula C25H21F3N8O2 and a molecular weight of 522.49 g/mol. Its IUPAC name is 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
• PubChem CID: 158896964
• Molecular Formula: C25H21F3N8O2
• Molecular Weight: 522.49 g/mol
• Exact Mass: 522.17
• IUPAC Name: 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
• SMILES: COc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)cn1
• InChI: InChI=1S/C25H21F3N8O2/c1-14-7-19(36-21(14)22(29)31-12-33-36)16-8-18(24(38-2)30-9-16)23(37)34-20-11-35(13-32-20)10-15-3-5-17(6-4-15)25(26,27)28/h3-9,11-13H,10H2,1-2H3,(H,34,37)(H2,29,31,33)
• InChIKey: JEYMIKXADHIOHR-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 125.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.49
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?

The IUPAC name of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide (CID 158896964) is 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide is COc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)cn1.

What is the InChIKey of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?

The InChIKey is JEYMIKXADHIOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N8O2/c1-14-7-19(36-21(14)22(29)31-12-33-36)16-8-18(24(38-2)30-9-16)23(37)34-20-11-35(13-32-20)10-15-3-5-17(6-4-15)25(26,27)28/h3-9,11-13H,10H2,1-2H3,(H,34,37)(H2,29,31,33).

What are the key properties of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide?

5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 522.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158896964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).