3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C18H23ClN6O2 — CID 139326948

IUPAC3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nnc(C2CCC2)o1.Cl
InChIInChI=1S/C18H22N6O2.ClH/c1-10-15(18-22-21-17(26-18)12-3-2-4-12)16-20-14(25)9-13(24(16)23-10)11-5-7-19-8-6-11;/h9,11-12,19H,2-8H2,1H3,(H,20,25);1H
InChIKeyGSEXHNXOYVFMPF-UHFFFAOYSA-N
MW390.88 g/mol
LogP2.54
Rot. Bonds3

About 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 139326948) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID139326948
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nnc(C2CCC2)o1.Cl
InChIInChI=1S/C18H22N6O2.ClH/c1-10-15(18-22-21-17(26-18)12-3-2-4-12)16-20-14(25)9-13(24(16)23-10)11-5-7-19-8-6-11;/h9,11-12,19H,2-8H2,1H3,(H,20,25);1H
InChIKeyGSEXHNXOYVFMPF-UHFFFAOYSA-N
XLogP2.54
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018717
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251712
2-methyl-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025757
[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium
CID 146866868
2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018580
3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 139326951
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137018316
3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018361
7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962762
10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962520
3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018459

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 139326948) is 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nnc(C2CCC2)o1.Cl.
What is the InChIKey of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is GSEXHNXOYVFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2.ClH/c1-10-15(18-22-21-17(26-18)12-3-2-4-12)16-20-14(25)9-13(24(16)23-10)11-5-7-19-8-6-11;/h9,11-12,19H,2-8H2,1H3,(H,20,25);1H.
What are the key properties of 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 139326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).