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

C27H27ClN6O3 — CID 134434670

IUPAC4-[6-[4-[(5-chloro-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(Oc4cncc(Cl)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27ClN6O3/c1-27(2,35)17-36-23-10-24(26-19(11-29)13-32-34(26)16-23)18-3-4-25(31-12-18)33-7-5-21(6-8-33)37-22-9-20(28)14-30-15-22/h3-4,9-10,12-16,21,35H,5-8,17H2,1-2H3
InChIKeySJFYDBZLRRFJDF-UHFFFAOYSA-N
MW519.01 g/mol
LogP4.51
Rot. Bonds7

About 4-[6-[4-[(5-chloro-3-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-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434670) has the molecular formula C27H27ClN6O3 and a molecular weight of 519.01 g/mol. Its IUPAC name is 4-[6-[4-[(5-chloro-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-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434670
Molecular FormulaC27H27ClN6O3
Molecular Weight519.01 g/mol
Exact Mass518.18
IUPAC Name4-[6-[4-[(5-chloro-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(Oc4cncc(Cl)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27ClN6O3/c1-27(2,35)17-36-23-10-24(26-19(11-29)13-32-34(26)16-23)18-3-4-25(31-12-18)33-7-5-21(6-8-33)37-22-9-20(28)14-30-15-22/h3-4,9-10,12-16,21,35H,5-8,17H2,1-2H3
InChIKeySJFYDBZLRRFJDF-UHFFFAOYSA-N
XLogP4.51
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.01
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(5-chloro-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-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434670) is 4-[6-[4-[(5-chloro-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-[(5-chloro-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-[(5-chloro-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(Oc4cncc(Cl)c4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SJFYDBZLRRFJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O3/c1-27(2,35)17-36-23-10-24(26-19(11-29)13-32-34(26)16-23)18-3-4-25(31-12-18)33-7-5-21(6-8-33)37-22-9-20(28)14-30-15-22/h3-4,9-10,12-16,21,35H,5-8,17H2,1-2H3.
What are the key properties of 4-[6-[4-[(5-chloro-3-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-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 519.01 g/mol, XLogP of 4.51, 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-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).