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

C27H26ClFN6O3 — CID 134436316

IUPAC4-[6-[4-[(5-chloro-3-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(Oc4ncc(Cl)cc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26ClFN6O3/c1-27(2,36)16-37-21-10-22(25-18(11-30)13-33-35(25)15-21)17-3-4-24(31-12-17)34-7-5-20(6-8-34)38-26-23(29)9-19(28)14-32-26/h3-4,9-10,12-15,20,36H,5-8,16H2,1-2H3
InChIKeyKQLUXIIJVOACIG-UHFFFAOYSA-N
MW537.00 g/mol
LogP4.65
Rot. Bonds7

About 4-[6-[4-[(5-chloro-3-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-chloro-3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436316) has the molecular formula C27H26ClFN6O3 and a molecular weight of 537.00 g/mol. Its IUPAC name is 4-[6-[4-[(5-chloro-3-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-chloro-3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436316
Molecular FormulaC27H26ClFN6O3
Molecular Weight537.00 g/mol
Exact Mass536.17
IUPAC Name4-[6-[4-[(5-chloro-3-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(Oc4ncc(Cl)cc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26ClFN6O3/c1-27(2,36)16-37-21-10-22(25-18(11-30)13-33-35(25)15-21)17-3-4-24(31-12-17)34-7-5-20(6-8-34)38-26-23(29)9-19(28)14-32-26/h3-4,9-10,12-15,20,36H,5-8,16H2,1-2H3
InChIKeyKQLUXIIJVOACIG-UHFFFAOYSA-N
XLogP4.65
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.00
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-[4-[(5-chloro-3-fluoro-2-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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Related Compounds

Selpercatinib
CID 134436906
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 146185205
Vepugratinib
CID 171074967
tert-Butyl 3-(5-(3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl)pyridin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 134435575
4-(6-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436703
US10144734, Example 206
CID 134434568
US10144734, Example 105
CID 134434589
US10144734, Example 92
CID 134434595
US10144734, Example 94
CID 134434597
US10144734, Example 83
CID 134434623
US10144734, Example 146
CID 134434671
US10144734, Example 209
CID 134434689

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(5-chloro-3-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-chloro-3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436316) is 4-[6-[4-[(5-chloro-3-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-chloro-3-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-chloro-3-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(Oc4ncc(Cl)cc4F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KQLUXIIJVOACIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN6O3/c1-27(2,36)16-37-21-10-22(25-18(11-30)13-33-35(25)15-21)17-3-4-24(31-12-17)34-7-5-20(6-8-34)38-26-23(29)9-19(28)14-32-26/h3-4,9-10,12-15,20,36H,5-8,16H2,1-2H3.
What are the key properties of 4-[6-[4-[(5-chloro-3-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-chloro-3-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 537.00 g/mol, XLogP of 4.65, 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-chloro-3-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 134436316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).