2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol

C18H25N7O — CID 31193171

IUPAC2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCc1cc(C)n2ncc(CN3CCC(n4cc(CCO)nn4)CC3)c2n1
InChIInChI=1S/C18H25N7O/c1-13-9-14(2)25-18(20-13)15(10-19-25)11-23-6-3-17(4-7-23)24-12-16(5-8-26)21-22-24/h9-10,12,17,26H,3-8,11H2,1-2H3
InChIKeyAPJMUWYLTVHUHM-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.31
Rot. Bonds5

About 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol

2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 31193171) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID31193171
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCc1cc(C)n2ncc(CN3CCC(n4cc(CCO)nn4)CC3)c2n1
InChIInChI=1S/C18H25N7O/c1-13-9-14(2)25-18(20-13)15(10-19-25)11-23-6-3-17(4-7-23)24-12-16(5-8-26)21-22-24/h9-10,12,17,26H,3-8,11H2,1-2H3
InChIKeyAPJMUWYLTVHUHM-UHFFFAOYSA-N
XLogP1.31
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol (CID 31193171) is 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol is Cc1cc(C)n2ncc(CN3CCC(n4cc(CCO)nn4)CC3)c2n1.
What is the InChIKey of 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is APJMUWYLTVHUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-13-9-14(2)25-18(20-13)15(10-19-25)11-23-6-3-17(4-7-23)24-12-16(5-8-26)21-22-24/h9-10,12,17,26H,3-8,11H2,1-2H3.
What are the key properties of 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 355.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 31193171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).