5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C17H18N8O — CID 163354956

IUPAC5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2ncnc2n1
InChIInChI=1S/C17H18N8O/c1-12-10-16(25-17(21-12)18-11-20-25)23-7-3-13(4-8-23)26-15-5-9-24-14(22-15)2-6-19-24/h2,5-6,9-11,13H,3-4,7-8H2,1H3
InChIKeyDASRQRJOIBCPSB-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.52
Rot. Bonds3

About 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 163354956) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID163354956
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2ncnc2n1
InChIInChI=1S/C17H18N8O/c1-12-10-16(25-17(21-12)18-11-20-25)23-7-3-13(4-8-23)26-15-5-9-24-14(22-15)2-6-19-24/h2,5-6,9-11,13H,3-4,7-8H2,1H3
InChIKeyDASRQRJOIBCPSB-UHFFFAOYSA-N
XLogP1.52
TPSA85.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 163354425
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
CID 82692163
5-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
CID 163354823
4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 163352979
7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133406480
5-methyl-7-(4-pyridin-3-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 56916689
5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
CID 163354855
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine
CID 155799366
7-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56899517
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-benzoxazole
CID 39772219

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 163354956) is 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DASRQRJOIBCPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-12-10-16(25-17(21-12)18-11-20-25)23-7-3-13(4-8-23)26-15-5-9-24-14(22-15)2-6-19-24/h2,5-6,9-11,13H,3-4,7-8H2,1H3.
What are the key properties of 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 350.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).