1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one

C19H16F4N6O2 — CID 176510931

IUPAC1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C(F)(F)F)nn12
InChIInChI=1S/C19H16F4N6O2/c1-10(31-2)17-12(7-24-16-6-15(19(21,22)23)27-29(16)17)5-13(30)3-11-4-14(20)18-25-9-26-28(18)8-11/h4,6-10H,3,5H2,1-2H3/t10-/m0/s1
InChIKeyXALCDVFKRQEJGN-JTQLQIEISA-N
MW436.37 g/mol
LogP2.99
Rot. Bonds6

About 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one

1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one (PubChem CID 176510931) has the molecular formula C19H16F4N6O2 and a molecular weight of 436.37 g/mol. Its IUPAC name is 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
PubChem CID176510931
Molecular FormulaC19H16F4N6O2
Molecular Weight436.37 g/mol
Exact Mass436.13
IUPAC Name1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C(F)(F)F)nn12
InChIInChI=1S/C19H16F4N6O2/c1-10(31-2)17-12(7-24-16-6-15(19(21,22)23)27-29(16)17)5-13(30)3-11-4-14(20)18-25-9-26-28(18)8-11/h4,6-10H,3,5H2,1-2H3/t10-/m0/s1
InChIKeyXALCDVFKRQEJGN-JTQLQIEISA-N
XLogP2.99
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The IUPAC name of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one (CID 176510931) is 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one.
What is the SMILES notation for 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The canonical SMILES for 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one is CO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C(F)(F)F)nn12.
What is the InChIKey of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The InChIKey is XALCDVFKRQEJGN-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16F4N6O2/c1-10(31-2)17-12(7-24-16-6-15(19(21,22)23)27-29(16)17)5-13(30)3-11-4-14(20)18-25-9-26-28(18)8-11/h4,6-10H,3,5H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one has a molecular weight of 436.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one is sourced from PubChem (CID 176510931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).