5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine

C17H15F4N3O — CID 158187768

IUPAC5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine
SMILESCc1cnn2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12
InChIInChI=1S/C17H15F4N3O/c1-10-8-23-24-5-4-11(7-14(10)24)12-6-13(18)15(22-9-12)25-16(2,3)17(19,20)21/h4-9H,1-3H3
InChIKeyZYQDNHHWUPCCBU-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.56
Rot. Bonds3

About 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine

5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine (PubChem CID 158187768) has the molecular formula C17H15F4N3O and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine
PubChem CID158187768
Molecular FormulaC17H15F4N3O
Molecular Weight353.32 g/mol
Exact Mass353.12
IUPAC Name5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine
SMILESCc1cnn2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12
InChIInChI=1S/C17H15F4N3O/c1-10-8-23-24-5-4-11(7-14(10)24)12-6-13(18)15(22-9-12)25-16(2,3)17(19,20)21/h4-9H,1-3H3
InChIKeyZYQDNHHWUPCCBU-UHFFFAOYSA-N
XLogP4.56
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine (CID 158187768) is 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine is Cc1cnn2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12.
What is the InChIKey of 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine?
The InChIKey is ZYQDNHHWUPCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O/c1-10-8-23-24-5-4-11(7-14(10)24)12-6-13(18)15(22-9-12)25-16(2,3)17(19,20)21/h4-9H,1-3H3.
What are the key properties of 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine?
5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine has a molecular weight of 353.32 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158187768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).