5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride

C16H19ClN6O — CID 120838417

IUPAC5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1cc(C)n2ncc(-c3noc(C4CC45CCNC5)n3)c2n1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-9-5-10(2)22-14(19-9)11(7-18-22)13-20-15(23-21-13)12-6-16(12)3-4-17-8-16;/h5,7,12,17H,3-4,6,8H2,1-2H3;1H
InChIKeyCMFYCZBXDVYEAP-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.28
Rot. Bonds2

About 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride

5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120838417) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120838417
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1cc(C)n2ncc(-c3noc(C4CC45CCNC5)n3)c2n1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-9-5-10(2)22-14(19-9)11(7-18-22)13-20-15(23-21-13)12-6-16(12)3-4-17-8-16;/h5,7,12,17H,3-4,6,8H2,1-2H3;1H
InChIKeyCMFYCZBXDVYEAP-UHFFFAOYSA-N
XLogP2.28
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole
CID 164640907
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120838395
5-(4,4-Difluoropyrrolidin-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838409
5-[Azetidin-3-yl(fluoro)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole
CID 132315382
3-({4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}methyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 56721540
N-[2-(5-Cyclopentyl-1,2,4-oxadiazol-3-YL)ethyl]-5-isopropylpyrazolo[1,5-A]pyrimidin-7-amine
CID 56894051
N-[(5-Cyclopentyl-1,2,4-oxadiazol-3-YL)methyl]-5-isopropylpyrazolo[1,5-A]pyrimidin-7-amine
CID 70765537
3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
CID 71970090
1-[3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
CID 71980371
3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
CID 72019625
N-[3-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]propyl]cyclopropanecarboxamide
CID 72019631
1-[3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentylurea
CID 72138154

Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120838417) is 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride is Cc1cc(C)n2ncc(-c3noc(C4CC45CCNC5)n3)c2n1.Cl.
What is the InChIKey of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is CMFYCZBXDVYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.ClH/c1-9-5-10(2)22-14(19-9)11(7-18-22)13-20-15(23-21-13)12-6-16(12)3-4-17-8-16;/h5,7,12,17H,3-4,6,8H2,1-2H3;1H.
What are the key properties of 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 346.82 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azaspiro[2.4]heptan-2-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120838417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).