4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23FN6O3 — CID 134435037

IUPAC4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(F)cn4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23FN6O3/c1-25(2,33)15-34-19-7-21(24-17(8-27)10-30-32(24)14-19)16-3-5-22(28-9-16)31-12-20(13-31)35-23-6-4-18(26)11-29-23/h3-7,9-11,14,20,33H,12-13,15H2,1-2H3
InChIKeyKZGPQAMQRUIJAF-UHFFFAOYSA-N
MW474.50 g/mol
LogP3.22
Rot. Bonds7

About 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435037) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435037
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(F)cn4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23FN6O3/c1-25(2,33)15-34-19-7-21(24-17(8-27)10-30-32(24)14-19)16-3-5-22(28-9-16)31-12-20(13-31)35-23-6-4-18(26)11-29-23/h3-7,9-11,14,20,33H,12-13,15H2,1-2H3
InChIKeyKZGPQAMQRUIJAF-UHFFFAOYSA-N
XLogP3.22
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435037) is 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(F)cn4)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KZGPQAMQRUIJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-25(2,33)15-34-19-7-21(24-17(8-27)10-30-32(24)14-19)16-3-5-22(28-9-16)31-12-20(13-31)35-23-6-4-18(26)11-29-23/h3-7,9-11,14,20,33H,12-13,15H2,1-2H3.
What are the key properties of 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 474.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-[(5-fluoro-2-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).