4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H24N6O2 — CID 134436703

IUPAC4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H24N6O2/c1-22(2,29)13-30-18-6-19(21-15(7-23)9-25-28(21)12-18)14-3-4-20(24-8-14)27-10-16-5-17(11-27)26-16/h3-4,6,8-9,12,16-17,26,29H,5,10-11,13H2,1-2H3
InChIKeySUGKKIXWZASGSG-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.97
Rot. Bonds5

About 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436703) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436703
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H24N6O2/c1-22(2,29)13-30-18-6-19(21-15(7-23)9-25-28(21)12-18)14-3-4-20(24-8-14)27-10-16-5-17(11-27)26-16/h3-4,6,8-9,12,16-17,26,29H,5,10-11,13H2,1-2H3
InChIKeySUGKKIXWZASGSG-UHFFFAOYSA-N
XLogP1.97
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-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-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436703) is 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-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-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SUGKKIXWZASGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-22(2,29)13-30-18-6-19(21-15(7-23)9-25-28(21)12-18)14-3-4-20(24-8-14)27-10-16-5-17(11-27)26-16/h3-4,6,8-9,12,16-17,26,29H,5,10-11,13H2,1-2H3.
What are the key properties of 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 404.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).