3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one

C17H24N4O2 — CID 56814687

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)CCc2c(C)nc3ccnn3c2C)CC1
InChIInChI=1S/C17H24N4O2/c1-12-15(13(2)21-16(19-12)6-9-18-21)4-5-17(22)20-10-7-14(23-3)8-11-20/h6,9,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyLCBUVMMGLHWZLG-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.92
Rot. Bonds4

About 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one (PubChem CID 56814687) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one
PubChem CID56814687
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)CCc2c(C)nc3ccnn3c2C)CC1
InChIInChI=1S/C17H24N4O2/c1-12-15(13(2)21-16(19-12)6-9-18-21)4-5-17(22)20-10-7-14(23-3)8-11-20/h6,9,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyLCBUVMMGLHWZLG-UHFFFAOYSA-N
XLogP1.92
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one (CID 56814687) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one is COC1CCN(C(=O)CCc2c(C)nc3ccnn3c2C)CC1.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is LCBUVMMGLHWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-15(13(2)21-16(19-12)6-9-18-21)4-5-17(22)20-10-7-14(23-3)8-11-20/h6,9,14H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 316.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 56814687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).