ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate

C19H22N6O2 — CID 16807940

IUPACethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2)CC1
InChIInChI=1S/C19H22N6O2/c1-3-27-19(26)24-10-8-23(9-11-24)17-16-12-22-25(18(16)21-13-20-17)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyFOFHSZBDEFWPIV-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.40
Rot. Bonds3

About ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 16807940) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID16807940
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Nameethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2)CC1
InChIInChI=1S/C19H22N6O2/c1-3-27-19(26)24-10-8-23(9-11-24)17-16-12-22-25(18(16)21-13-20-17)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyFOFHSZBDEFWPIV-UHFFFAOYSA-N
XLogP2.40
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate 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 ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate (CID 16807940) is ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is FOFHSZBDEFWPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-27-19(26)24-10-8-23(9-11-24)17-16-12-22-25(18(16)21-13-20-17)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 366.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 16807940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).