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

C26H24F2N6O4 — CID 134434953

IUPAC4-[6-[3-[[6-(difluoromethoxy)-3-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(OC(F)F)nc4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H24F2N6O4/c1-26(2,35)15-36-19-7-21(24-17(8-29)10-32-34(24)14-19)16-3-5-22(30-9-16)33-12-20(13-33)37-18-4-6-23(31-11-18)38-25(27)28/h3-7,9-11,14,20,25,35H,12-13,15H2,1-2H3
InChIKeyBKBVYVDAEYQPGJ-UHFFFAOYSA-N
MW522.51 g/mol
LogP3.68
Rot. Bonds9

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

4-[6-[3-[[6-(difluoromethoxy)-3-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434953) has the molecular formula C26H24F2N6O4 and a molecular weight of 522.51 g/mol. Its IUPAC name is 4-[6-[3-[[6-(difluoromethoxy)-3-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-[[6-(difluoromethoxy)-3-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434953
Molecular FormulaC26H24F2N6O4
Molecular Weight522.51 g/mol
Exact Mass522.18
IUPAC Name4-[6-[3-[[6-(difluoromethoxy)-3-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(OC(F)F)nc4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H24F2N6O4/c1-26(2,35)15-36-19-7-21(24-17(8-29)10-32-34(24)14-19)16-3-5-22(30-9-16)33-12-20(13-33)37-18-4-6-23(31-11-18)38-25(27)28/h3-7,9-11,14,20,25,35H,12-13,15H2,1-2H3
InChIKeyBKBVYVDAEYQPGJ-UHFFFAOYSA-N
XLogP3.68
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-[[6-(difluoromethoxy)-3-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-[[6-(difluoromethoxy)-3-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434953) is 4-[6-[3-[[6-(difluoromethoxy)-3-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-[[6-(difluoromethoxy)-3-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-[[6-(difluoromethoxy)-3-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(OC(F)F)nc4)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[3-[[6-(difluoromethoxy)-3-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BKBVYVDAEYQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O4/c1-26(2,35)15-36-19-7-21(24-17(8-29)10-32-34(24)14-19)16-3-5-22(30-9-16)33-12-20(13-33)37-18-4-6-23(31-11-18)38-25(27)28/h3-7,9-11,14,20,25,35H,12-13,15H2,1-2H3.
What are the key properties of 4-[6-[3-[[6-(difluoromethoxy)-3-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[3-[[6-(difluoromethoxy)-3-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 522.51 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-[[6-(difluoromethoxy)-3-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).