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

C20H29ClN6O3 — CID 137025757

IUPAC2-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
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1.Cl
InChIInChI=1S/C20H28N6O3.ClH/c1-12-17(19-22-15(25-29-19)7-10-28-20(2,3)4)18-23-16(27)11-14(26(18)24-12)13-5-8-21-9-6-13;/h11,13,21H,5-10H2,1-4H3,(H,23,27);1H
InChIKeyHMIRWGWGJNRLIK-UHFFFAOYSA-N
MW436.94 g/mol
LogP2.63
Rot. Bonds5

About 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

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 (PubChem CID 137025757) has the molecular formula C20H29ClN6O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID137025757
Molecular FormulaC20H29ClN6O3
Molecular Weight436.94 g/mol
Exact Mass436.20
IUPAC Name2-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
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1.Cl
InChIInChI=1S/C20H28N6O3.ClH/c1-12-17(19-22-15(25-29-19)7-10-28-20(2,3)4)18-23-16(27)11-14(26(18)24-12)13-5-8-21-9-6-13;/h11,13,21H,5-10H2,1-4H3,(H,23,27);1H
InChIKeyHMIRWGWGJNRLIK-UHFFFAOYSA-N
XLogP2.63
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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-[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-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-(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
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium
CID 146866868
3-[3-(1-methoxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018264
propyl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018414
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137018316
10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962693
3-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 139326951
2,2-difluoroethyl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018619

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1.Cl.
What is the InChIKey of 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?
The InChIKey is HMIRWGWGJNRLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3.ClH/c1-12-17(19-22-15(25-29-19)7-10-28-20(2,3)4)18-23-16(27)11-14(26(18)24-12)13-5-8-21-9-6-13;/h11,13,21H,5-10H2,1-4H3,(H,23,27);1H.
What are the key properties of 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?
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 has a molecular weight of 436.94 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137025757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).