3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

C15H10F6N4O — CID 155338323

IUPAC3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESC[C@H](Oc1ncc(-c2ccc3nnc(C(F)F)n3c2)cc1F)C(F)(F)F
InChIInChI=1S/C15H10F6N4O/c1-7(15(19,20)21)26-14-10(16)4-9(5-22-14)8-2-3-11-23-24-13(12(17)18)25(11)6-8/h2-7,12H,1H3/t7-/m0/s1
InChIKeyQYKYERZMCPEDDE-ZETCQYMHSA-N
MW376.26 g/mol
LogP4.20
Rot. Bonds4

About 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155338323) has the molecular formula C15H10F6N4O and a molecular weight of 376.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155338323
Molecular FormulaC15H10F6N4O
Molecular Weight376.26 g/mol
Exact Mass376.08
IUPAC Name3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESC[C@H](Oc1ncc(-c2ccc3nnc(C(F)F)n3c2)cc1F)C(F)(F)F
InChIInChI=1S/C15H10F6N4O/c1-7(15(19,20)21)26-14-10(16)4-9(5-22-14)8-2-3-11-23-24-13(12(17)18)25(11)6-8/h2-7,12H,1H3/t7-/m0/s1
InChIKeyQYKYERZMCPEDDE-ZETCQYMHSA-N
XLogP4.20
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 155338323) is 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is C[C@H](Oc1ncc(-c2ccc3nnc(C(F)F)n3c2)cc1F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QYKYERZMCPEDDE-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H10F6N4O/c1-7(15(19,20)21)26-14-10(16)4-9(5-22-14)8-2-3-11-23-24-13(12(17)18)25(11)6-8/h2-7,12H,1H3/t7-/m0/s1.
What are the key properties of 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 376.26 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155338323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).