3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole

C17H22N6O — CID 74767042

IUPAC3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)16-14-10-20-23(17(14)19-11-18-16)9-8-22-6-4-3-5-7-22/h10-11H,3-9H2,1-2H3
InChIKeyGSZUIMXFAPRHHE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds4

About 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole

3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole (PubChem CID 74767042) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole
PubChem CID74767042
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)16-14-10-20-23(17(14)19-11-18-16)9-8-22-6-4-3-5-7-22/h10-11H,3-9H2,1-2H3
InChIKeyGSZUIMXFAPRHHE-UHFFFAOYSA-N
XLogP2.58
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole (CID 74767042) is 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole is Cc1noc(C)c1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole?
The InChIKey is GSZUIMXFAPRHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)16-14-10-20-23(17(14)19-11-18-16)9-8-22-6-4-3-5-7-22/h10-11H,3-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole has a molecular weight of 326.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 74767042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).