5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H24N4O2 — CID 110214527

IUPAC5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN(C(=O)C(C)C)C3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H24N4O2/c1-10(2)16(22)20-7-5-6-13(9-20)14-8-15-18-12(4)11(3)17(23)21(15)19-14/h8,10,13,19H,5-7,9H2,1-4H3
InChIKeyIVVLHRKJTCTMIO-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.00
Rot. Bonds2

About 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214527) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214527
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN(C(=O)C(C)C)C3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H24N4O2/c1-10(2)16(22)20-7-5-6-13(9-20)14-8-15-18-12(4)11(3)17(23)21(15)19-14/h8,10,13,19H,5-7,9H2,1-4H3
InChIKeyIVVLHRKJTCTMIO-UHFFFAOYSA-N
XLogP2.00
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214527) is 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCN(C(=O)C(C)C)C3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IVVLHRKJTCTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10(2)16(22)20-7-5-6-13(9-20)14-8-15-18-12(4)11(3)17(23)21(15)19-14/h8,10,13,19H,5-7,9H2,1-4H3.
What are the key properties of 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 316.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).