1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

C18H20ClN5 — CID 3578502

IUPAC1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC1CC(C)CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN5/c1-12-7-13(2)10-23(9-12)17-16-8-22-24(18(16)21-11-20-17)15-5-3-14(19)4-6-15/h3-6,8,11-13H,7,9-10H2,1-2H3
InChIKeyWTNKZJVGLHPLRW-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.95
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 3578502) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID3578502
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC1CC(C)CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN5/c1-12-7-13(2)10-23(9-12)17-16-8-22-24(18(16)21-11-20-17)15-5-3-14(19)4-6-15/h3-6,8,11-13H,7,9-10H2,1-2H3
InChIKeyWTNKZJVGLHPLRW-UHFFFAOYSA-N
XLogP3.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[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 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 3578502) is 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is CC1CC(C)CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is WTNKZJVGLHPLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-12-7-13(2)10-23(9-12)17-16-8-22-24(18(16)21-11-20-17)15-5-3-14(19)4-6-15/h3-6,8,11-13H,7,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 341.85 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3578502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).