3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

C22H24N4O2 — CID 156844746

IUPAC3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESCC1(C)CC(Oc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CCN1
InChIInChI=1S/C22H24N4O2/c1-22(2)13-17(8-10-23-22)28-20-7-6-19-18-5-4-16(26-11-3-9-24-26)12-15(18)14-27-21(19)25-20/h3-7,9,11-12,17,23H,8,10,13-14H2,1-2H3
InChIKeyVVDBKJBAVZYSRB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds3

About 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (PubChem CID 156844746) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
PubChem CID156844746
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESCC1(C)CC(Oc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CCN1
InChIInChI=1S/C22H24N4O2/c1-22(2)13-17(8-10-23-22)28-20-7-6-19-18-5-4-16(26-11-3-9-24-26)12-15(18)14-27-21(19)25-20/h3-7,9,11-12,17,23H,8,10,13-14H2,1-2H3
InChIKeyVVDBKJBAVZYSRB-UHFFFAOYSA-N
XLogP3.74
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The IUPAC name of 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (CID 156844746) is 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.
What is the SMILES notation for 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The canonical SMILES for 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is CC1(C)CC(Oc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CCN1.
What is the InChIKey of 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The InChIKey is VVDBKJBAVZYSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2)13-17(8-10-23-22)28-20-7-6-19-18-5-4-16(26-11-3-9-24-26)12-15(18)14-27-21(19)25-20/h3-7,9,11-12,17,23H,8,10,13-14H2,1-2H3.
What are the key properties of 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine has a molecular weight of 376.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpiperidin-4-yl)oxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is sourced from PubChem (CID 156844746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).