5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one

C15H23N5O — CID 56686149

IUPAC5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(C)c(N3CC(C)CC(C)C3)nc12
InChIInChI=1S/C15H23N5O/c1-9-6-10(2)8-20(7-9)15-16-12-11(3)17-19(5)13(12)14(21)18(15)4/h9-10H,6-8H2,1-5H3
InChIKeyIYPGUUARGQTBHB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.46
Rot. Bonds1

About 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one

5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 56686149) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID56686149
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(C)c(N3CC(C)CC(C)C3)nc12
InChIInChI=1S/C15H23N5O/c1-9-6-10(2)8-20(7-9)15-16-12-11(3)17-19(5)13(12)14(21)18(15)4/h9-10H,6-8H2,1-5H3
InChIKeyIYPGUUARGQTBHB-UHFFFAOYSA-N
XLogP1.46
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one (CID 56686149) is 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)n(C)c(N3CC(C)CC(C)C3)nc12.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is IYPGUUARGQTBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-6-10(2)8-20(7-9)15-16-12-11(3)17-19(5)13(12)14(21)18(15)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 289.38 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 56686149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).