3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C19H19ClN6O — CID 120955566

IUPAC3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc2c(-c3noc(C4(n5cccn5)CCNCC4)n3)nccc2c1
InChIInChI=1S/C19H18N6O.ClH/c1-2-5-15-14(4-1)6-10-21-16(15)17-23-18(26-24-17)19(7-11-20-12-8-19)25-13-3-9-22-25;/h1-6,9-10,13,20H,7-8,11-12H2;1H
InChIKeyZJHYMIXXNPJBMC-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.03
Rot. Bonds3

About 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120955566) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120955566
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc2c(-c3noc(C4(n5cccn5)CCNCC4)n3)nccc2c1
InChIInChI=1S/C19H18N6O.ClH/c1-2-5-15-14(4-1)6-10-21-16(15)17-23-18(26-24-17)19(7-11-20-12-8-19)25-13-3-9-22-25;/h1-6,9-10,13,20H,7-8,11-12H2;1H
InChIKeyZJHYMIXXNPJBMC-UHFFFAOYSA-N
XLogP3.03
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 120955566) is 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is Cl.c1ccc2c(-c3noc(C4(n5cccn5)CCNCC4)n3)nccc2c1.
What is the InChIKey of 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZJHYMIXXNPJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O.ClH/c1-2-5-15-14(4-1)6-10-21-16(15)17-23-18(26-24-17)19(7-11-20-12-8-19)25-13-3-9-22-25;/h1-6,9-10,13,20H,7-8,11-12H2;1H.
What are the key properties of 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120955566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).