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

C26H23F2N5O3 — CID 134434952

IUPAC4-[6-[3-(2,4-difluorophenoxy)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)cc4F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H23F2N5O3/c1-26(2,34)15-35-19-8-21(25-17(9-29)11-31-33(25)14-19)16-3-6-24(30-10-16)32-12-20(13-32)36-23-5-4-18(27)7-22(23)28/h3-8,10-11,14,20,34H,12-13,15H2,1-2H3
InChIKeyLAJJTQDPPHSTOL-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.96
Rot. Bonds7

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

4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434952) has the molecular formula C26H23F2N5O3 and a molecular weight of 491.50 g/mol. Its IUPAC name is 4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434952
Molecular FormulaC26H23F2N5O3
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Name4-[6-[3-(2,4-difluorophenoxy)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)cc4F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H23F2N5O3/c1-26(2,34)15-35-19-8-21(25-17(9-29)11-31-33(25)14-19)16-3-6-24(30-10-16)32-12-20(13-32)36-23-5-4-18(27)7-22(23)28/h3-8,10-11,14,20,34H,12-13,15H2,1-2H3
InChIKeyLAJJTQDPPHSTOL-UHFFFAOYSA-N
XLogP3.96
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434952) is 4-[6-[3-(2,4-difluorophenoxy)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-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[3-(2,4-difluorophenoxy)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)cc4F)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LAJJTQDPPHSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O3/c1-26(2,34)15-35-19-8-21(25-17(9-29)11-31-33(25)14-19)16-3-6-24(30-10-16)32-12-20(13-32)36-23-5-4-18(27)7-22(23)28/h3-8,10-11,14,20,34H,12-13,15H2,1-2H3.
What are the key properties of 4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 491.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(2,4-difluorophenoxy)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).