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

C28H28F2N6O4 — CID 134435007

IUPAC4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccc(OC(F)F)nc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28F2N6O4/c1-28(2,37)17-38-22-11-23(26-19(12-31)14-34-36(26)16-22)18-3-5-24(32-13-18)35-9-7-20(8-10-35)39-21-4-6-25(33-15-21)40-27(29)30/h3-6,11,13-16,20,27,37H,7-10,17H2,1-2H3
InChIKeyUIWLCRJZTVCVKE-UHFFFAOYSA-N
MW550.57 g/mol
LogP4.46
Rot. Bonds9

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

4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435007) has the molecular formula C28H28F2N6O4 and a molecular weight of 550.57 g/mol. Its IUPAC name is 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435007
Molecular FormulaC28H28F2N6O4
Molecular Weight550.57 g/mol
Exact Mass550.21
IUPAC Name4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccc(OC(F)F)nc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28F2N6O4/c1-28(2,37)17-38-22-11-23(26-19(12-31)14-34-36(26)16-22)18-3-5-24(32-13-18)35-9-7-20(8-10-35)39-21-4-6-25(33-15-21)40-27(29)30/h3-6,11,13-16,20,27,37H,7-10,17H2,1-2H3
InChIKeyUIWLCRJZTVCVKE-UHFFFAOYSA-N
XLogP4.46
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-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-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435007) is 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccc(OC(F)F)nc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UIWLCRJZTVCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O4/c1-28(2,37)17-38-22-11-23(26-19(12-31)14-34-36(26)16-22)18-3-5-24(32-13-18)35-9-7-20(8-10-35)39-21-4-6-25(33-15-21)40-27(29)30/h3-6,11,13-16,20,27,37H,7-10,17H2,1-2H3.
What are the key properties of 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 550.57 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).