N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

C19H13F4N7O — CID 126484344

IUPACN-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)c(F)cn1
InChIInChI=1S/C19H13F4N7O/c1-10(31)25-16-8-13(11(20)9-24-16)27-18-14-5-3-7-30(14)29-17(28-18)12-4-2-6-15(26-12)19(21,22)23/h2-9H,1H3,(H2,24,25,27,28,29,31)
InChIKeyOQJLZOVEWTVNND-UHFFFAOYSA-N
MW431.35 g/mol
LogP4.05
Rot. Bonds4

About N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 126484344) has the molecular formula C19H13F4N7O and a molecular weight of 431.35 g/mol. Its IUPAC name is N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID126484344
Molecular FormulaC19H13F4N7O
Molecular Weight431.35 g/mol
Exact Mass431.11
IUPAC NameN-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)c(F)cn1
InChIInChI=1S/C19H13F4N7O/c1-10(31)25-16-8-13(11(20)9-24-16)27-18-14-5-3-7-30(14)29-17(28-18)12-4-2-6-15(26-12)19(21,22)23/h2-9H,1H3,(H2,24,25,27,28,29,31)
InChIKeyOQJLZOVEWTVNND-UHFFFAOYSA-N
XLogP4.05
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 126484344) is N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)c(F)cn1.
What is the InChIKey of N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is OQJLZOVEWTVNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N7O/c1-10(31)25-16-8-13(11(20)9-24-16)27-18-14-5-3-7-30(14)29-17(28-18)12-4-2-6-15(26-12)19(21,22)23/h2-9H,1H3,(H2,24,25,27,28,29,31).
What are the key properties of N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 431.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 126484344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).