3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride

C17H23ClN6O2 — CID 120838500

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(-c3cnn4c(C)cc(C)nc34)no2)CCNCC1.Cl
InChIInChI=1S/C17H22N6O2.ClH/c1-11-8-12(2)23-15(20-11)13(9-19-23)14-21-16(25-22-14)17(10-24-3)4-6-18-7-5-17;/h8-9,18H,4-7,10H2,1-3H3;1H
InChIKeyDQUMFUQGOHALHE-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.09
Rot. Bonds4

About 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120838500) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120838500
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(-c3cnn4c(C)cc(C)nc34)no2)CCNCC1.Cl
InChIInChI=1S/C17H22N6O2.ClH/c1-11-8-12(2)23-15(20-11)13(9-19-23)14-21-16(25-22-14)17(10-24-3)4-6-18-7-5-17;/h8-9,18H,4-7,10H2,1-3H3;1H
InChIKeyDQUMFUQGOHALHE-UHFFFAOYSA-N
XLogP2.09
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (CID 120838500) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is COCC1(c2nc(-c3cnn4c(C)cc(C)nc34)no2)CCNCC1.Cl.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is DQUMFUQGOHALHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.ClH/c1-11-8-12(2)23-15(20-11)13(9-19-23)14-21-16(25-22-14)17(10-24-3)4-6-18-7-5-17;/h8-9,18H,4-7,10H2,1-3H3;1H.
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120838500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).