3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride

C23H29ClN4O — CID 67448082

IUPAC3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride
SMILESCCc1nn(-c2ccccc2)c2cc(OC3CN(C4CCNCC4)C3)ccc12.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-2-22-21-9-8-19(14-23(21)27(25-22)18-6-4-3-5-7-18)28-20-15-26(16-20)17-10-12-24-13-11-17;/h3-9,14,17,20,24H,2,10-13,15-16H2,1H3;1H
InChIKeyYQLLXMXEULCCFK-UHFFFAOYSA-N
MW412.97 g/mol
LogP3.82
Rot. Bonds5

About 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride

3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride (PubChem CID 67448082) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride
PubChem CID67448082
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride
SMILESCCc1nn(-c2ccccc2)c2cc(OC3CN(C4CCNCC4)C3)ccc12.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-2-22-21-9-8-19(14-23(21)27(25-22)18-6-4-3-5-7-18)28-20-15-26(16-20)17-10-12-24-13-11-17;/h3-9,14,17,20,24H,2,10-13,15-16H2,1H3;1H
InChIKeyYQLLXMXEULCCFK-UHFFFAOYSA-N
XLogP3.82
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride?
The IUPAC name of 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride (CID 67448082) is 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride?
The canonical SMILES for 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride is CCc1nn(-c2ccccc2)c2cc(OC3CN(C4CCNCC4)C3)ccc12.Cl.
What is the InChIKey of 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride?
The InChIKey is YQLLXMXEULCCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.ClH/c1-2-22-21-9-8-19(14-23(21)27(25-22)18-6-4-3-5-7-18)28-20-15-26(16-20)17-10-12-24-13-11-17;/h3-9,14,17,20,24H,2,10-13,15-16H2,1H3;1H.
What are the key properties of 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride?
3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride has a molecular weight of 412.97 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride is sourced from PubChem (CID 67448082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).