3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride

C35H45ClN12O — CID 90159554

IUPAC3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
SMILESCc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1.Cc1noc(C)c1-c1ncnc2c1cnn2CCN1CCCCC1.Cl
InChIInChI=1S/C18H22N6.C17H22N6O.ClH/c1-14-15(6-5-7-19-14)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-3-2-4-9-23;1-12-15(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;/h5-7,12-13H,2-4,8-11H2,1H3;10-11H,3-9H2,1-2H3;1H
InChIKeyQFCQBKPIKLTVRW-UHFFFAOYSA-N
MW685.28 g/mol
LogP5.69
Rot. Bonds8

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

3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 90159554) has the molecular formula C35H45ClN12O and a molecular weight of 685.28 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;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
PubChem CID90159554
Molecular FormulaC35H45ClN12O
Molecular Weight685.28 g/mol
Exact Mass684.35
IUPAC Name3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
SMILESCc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1.Cc1noc(C)c1-c1ncnc2c1cnn2CCN1CCCCC1.Cl
InChIInChI=1S/C18H22N6.C17H22N6O.ClH/c1-14-15(6-5-7-19-14)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-3-2-4-9-23;1-12-15(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;/h5-7,12-13H,2-4,8-11H2,1H3;10-11H,3-9H2,1-2H3;1H
InChIKeyQFCQBKPIKLTVRW-UHFFFAOYSA-N
XLogP5.69
TPSA132.60 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500685.28
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride (CID 90159554) is 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride.
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;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride is Cc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1.Cc1noc(C)c1-c1ncnc2c1cnn2CCN1CCCCC1.Cl.
What is the InChIKey of 3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is QFCQBKPIKLTVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6.C17H22N6O.ClH/c1-14-15(6-5-7-19-14)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-3-2-4-9-23;1-12-15(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;/h5-7,12-13H,2-4,8-11H2,1H3;10-11H,3-9H2,1-2H3;1H.
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;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride?
3,5-dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 685.28 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 13 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;4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 90159554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).