3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

C20H20N4O2 — CID 156844692

IUPAC3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(OC4CCNCC4)ccc2-3)c1
InChIInChI=1S/C20H20N4O2/c1-8-22-24(11-1)15-2-3-17-14(12-15)13-25-20-18(17)4-5-19(23-20)26-16-6-9-21-10-7-16/h1-5,8,11-12,16,21H,6-7,9-10,13H2
InChIKeyIYLGDWWWRGSVKG-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.96
Rot. Bonds3

About 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (PubChem CID 156844692) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
PubChem CID156844692
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(OC4CCNCC4)ccc2-3)c1
InChIInChI=1S/C20H20N4O2/c1-8-22-24(11-1)15-2-3-17-14(12-15)13-25-20-18(17)4-5-19(23-20)26-16-6-9-21-10-7-16/h1-5,8,11-12,16,21H,6-7,9-10,13H2
InChIKeyIYLGDWWWRGSVKG-UHFFFAOYSA-N
XLogP2.96
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The IUPAC name of 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (CID 156844692) is 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.
What is the SMILES notation for 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The canonical SMILES for 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is c1cnn(-c2ccc3c(c2)COc2nc(OC4CCNCC4)ccc2-3)c1.
What is the InChIKey of 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The InChIKey is IYLGDWWWRGSVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-8-22-24(11-1)15-2-3-17-14(12-15)13-25-20-18(17)4-5-19(23-20)26-16-6-9-21-10-7-16/h1-5,8,11-12,16,21H,6-7,9-10,13H2.
What are the key properties of 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine has a molecular weight of 348.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is sourced from PubChem (CID 156844692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).