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

C24H28N4O2 — CID 156844695

IUPAC8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine
SMILESCC1(C)CC(Oc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CC(C)(C)N1
InChIInChI=1S/C24H28N4O2/c1-23(2)13-18(14-24(3,4)27-23)30-21-9-8-20-19-7-6-17(28-11-5-10-25-28)12-16(19)15-29-22(20)26-21/h5-12,18,27H,13-15H2,1-4H3
InChIKeyGESOCKLKHCSALD-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.51
Rot. Bonds3

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

8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine (PubChem CID 156844695) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine
PubChem CID156844695
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine
SMILESCC1(C)CC(Oc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CC(C)(C)N1
InChIInChI=1S/C24H28N4O2/c1-23(2)13-18(14-24(3,4)27-23)30-21-9-8-20-19-7-6-17(28-11-5-10-25-28)12-16(19)15-29-22(20)26-21/h5-12,18,27H,13-15H2,1-4H3
InChIKeyGESOCKLKHCSALD-UHFFFAOYSA-N
XLogP4.51
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine?
The IUPAC name of 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine (CID 156844695) is 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine.
What is the SMILES notation for 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine?
The canonical SMILES for 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine is CC1(C)CC(Oc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CC(C)(C)N1.
What is the InChIKey of 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine?
The InChIKey is GESOCKLKHCSALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-23(2)13-18(14-24(3,4)27-23)30-21-9-8-20-19-7-6-17(28-11-5-10-25-28)12-16(19)15-29-22(20)26-21/h5-12,18,27H,13-15H2,1-4H3.
What are the key properties of 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine?
8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine has a molecular weight of 404.51 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrazol-1-yl-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6H-isochromeno[3,4-b]pyridine is sourced from PubChem (CID 156844695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).