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

C27H27FN6O3 — CID 134434888

IUPAC4-[6-[4-[(5-fluoro-2-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(F)cn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
InChIKeyFTYWDDSFIVYUOJ-UHFFFAOYSA-N
MW502.55 g/mol
LogP4.00
Rot. Bonds7

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

4-[6-[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434888) has the molecular formula C27H27FN6O3 and a molecular weight of 502.55 g/mol. Its IUPAC name is 4-[6-[4-[(5-fluoro-2-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-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434888
Molecular FormulaC27H27FN6O3
Molecular Weight502.55 g/mol
Exact Mass502.21
IUPAC Name4-[6-[4-[(5-fluoro-2-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(F)cn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
InChIKeyFTYWDDSFIVYUOJ-UHFFFAOYSA-N
XLogP4.00
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(5-fluoro-2-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-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434888) is 4-[6-[4-[(5-fluoro-2-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-[(5-fluoro-2-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-[(5-fluoro-2-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(F)cn4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FTYWDDSFIVYUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3.
What are the key properties of 4-[6-[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 502.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).