1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol

C18H15FN6O — CID 126484448

IUPAC1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C18H15FN6O/c1-11(26)13-4-2-5-15(21-13)17-23-18(16-6-3-9-25(16)24-17)22-14-7-8-20-10-12(14)19/h2-11,26H,1H3,(H,20,22,23,24)
InChIKeyFILWHFPSXFGAFE-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.12
Rot. Bonds4

About 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol

1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol (PubChem CID 126484448) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol
PubChem CID126484448
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C18H15FN6O/c1-11(26)13-4-2-5-15(21-13)17-23-18(16-6-3-9-25(16)24-17)22-14-7-8-20-10-12(14)19/h2-11,26H,1H3,(H,20,22,23,24)
InChIKeyFILWHFPSXFGAFE-UHFFFAOYSA-N
XLogP3.12
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol (CID 126484448) is 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol is CC(O)c1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1.
What is the InChIKey of 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol?
The InChIKey is FILWHFPSXFGAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-11(26)13-4-2-5-15(21-13)17-23-18(16-6-3-9-25(16)24-17)22-14-7-8-20-10-12(14)19/h2-11,26H,1H3,(H,20,22,23,24).
What are the key properties of 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol?
1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol has a molecular weight of 350.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 126484448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).