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

C26H17F7N8O4S — CID 155252451

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

2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 155252451) has the molecular formula C26H17F7N8O4S and a molecular weight of 670.53 g/mol. Its IUPAC name is 2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 155252451
• Molecular Formula: C26H17F7N8O4S
• Molecular Weight: 670.53 g/mol
• Exact Mass: 670.10
• IUPAC Name: 2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1ncc(C(=O)NCc2cc(OC(F)(F)F)ccc2F)s1
• InChI: InChI=1S/C26H17F7N8O4S/c1-44-23-14(5-12(8-36-23)17-6-15(25(28,29)30)19-20(34)38-10-39-41(17)19)21(42)40-24-37-9-18(46-24)22(43)35-7-11-4-13(2-3-16(11)27)45-26(31,32)33/h2-6,8-10H,7H2,1H3,(H,35,43)(H2,34,38,39)(H,37,40,42)
• InChIKey: MUTWNZLPXAQAGG-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 158.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	670.53
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 155252451) is 2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1ncc(C(=O)NCc2cc(OC(F)(F)F)ccc2F)s1.

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

The InChIKey is MUTWNZLPXAQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F7N8O4S/c1-44-23-14(5-12(8-36-23)17-6-15(25(28,29)30)19-20(34)38-10-39-41(17)19)21(42)40-24-37-9-18(46-24)22(43)35-7-11-4-13(2-3-16(11)27)45-26(31,32)33/h2-6,8-10H,7H2,1H3,(H,35,43)(H2,34,38,39)(H,37,40,42).

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

2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 670.53 g/mol, XLogP of 5.08, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155252451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).