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

C25H17F7N8O2 — CID 139348888

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

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide (PubChem CID 139348888) has the molecular formula C25H17F7N8O2 and a molecular weight of 594.45 g/mol. Its IUPAC name is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
• PubChem CID: 139348888
• Molecular Formula: C25H17F7N8O2
• Molecular Weight: 594.45 g/mol
• Exact Mass: 594.14
• IUPAC Name: 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2cc(OC(F)(F)F)ccc2F)c1
• InChI: InChI=1S/C25H17F7N8O2/c1-12-17(5-13(7-34-12)20-6-18(24(27,28)29)21-22(33)35-11-37-40(20)21)23(41)38-15-8-36-39(10-15)9-14-4-16(2-3-19(14)26)42-25(30,31)32/h2-8,10-11H,9H2,1H3,(H,38,41)(H2,33,35,37)
• InChIKey: WLVKHZIEOUKLOB-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 125.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.45
LogP ≤ 5	5.24
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-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide (CID 139348888) is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide.

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

The canonical SMILES for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2cc(OC(F)(F)F)ccc2F)c1.

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

The InChIKey is WLVKHZIEOUKLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F7N8O2/c1-12-17(5-13(7-34-12)20-6-18(24(27,28)29)21-22(33)35-11-37-40(20)21)23(41)38-15-8-36-39(10-15)9-14-4-16(2-3-19(14)26)42-25(30,31)32/h2-8,10-11H,9H2,1H3,(H,38,41)(H2,33,35,37).

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

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 594.45 g/mol, XLogP of 5.24, 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-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 139348888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).