5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C26H21F8N7O3 — CID 155251722

About 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 155251722) has the molecular formula C26H21F8N7O3 and a molecular weight of 631.48 g/mol. Its IUPAC name is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 155251722
• Molecular Formula: C26H21F8N7O3
• Molecular Weight: 631.48 g/mol
• Exact Mass: 631.16
• IUPAC Name: 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)NC1CN(Cc2ccc(OC(F)(F)F)c(F)c2)CC1F
• InChI: InChI=1S/C26H21F8N7O3/c1-43-24-14(5-13(7-36-24)19-6-15(25(29,30)31)21-22(35)37-11-38-41(19)21)23(42)39-18-10-40(9-17(18)28)8-12-2-3-20(16(27)4-12)44-26(32,33)34/h2-7,11,17-18H,8-10H2,1H3,(H,39,42)(H2,35,37,38)
• InChIKey: GEZWKVVATNBLSI-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 119.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.48
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 155251722) is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)NC1CN(Cc2ccc(OC(F)(F)F)c(F)c2)CC1F.

What is the InChIKey of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

The InChIKey is GEZWKVVATNBLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F8N7O3/c1-43-24-14(5-13(7-36-24)19-6-15(25(29,30)31)21-22(35)37-11-38-41(19)21)23(42)39-18-10-40(9-17(18)28)8-12-2-3-20(16(27)4-12)44-26(32,33)34/h2-7,11,17-18H,8-10H2,1H3,(H,39,42)(H2,35,37,38).

What are the key properties of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 631.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155251722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).