4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C14H22N6O — CID 95345337

IUPAC4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCCN1CCN(c2ncnc3c2cnn3C)C[C@H]1C
InChIInChI=1S/C14H22N6O/c1-11-9-20(5-4-19(11)6-7-21-3)14-12-8-17-18(2)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3/t11-/m1/s1
InChIKeyUUNLPMXCOYMQLA-LLVKDONJSA-N
MW290.37 g/mol
LogP0.52
Rot. Bonds4

About 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 95345337) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID95345337
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCCN1CCN(c2ncnc3c2cnn3C)C[C@H]1C
InChIInChI=1S/C14H22N6O/c1-11-9-20(5-4-19(11)6-7-21-3)14-12-8-17-18(2)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3/t11-/m1/s1
InChIKeyUUNLPMXCOYMQLA-LLVKDONJSA-N
XLogP0.52
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine 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 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 95345337) is 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is COCCN1CCN(c2ncnc3c2cnn3C)C[C@H]1C.
What is the InChIKey of 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is UUNLPMXCOYMQLA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-9-20(5-4-19(11)6-7-21-3)14-12-8-17-18(2)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 290.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95345337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).