4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine

C19H22FN7 — CID 126893222

IUPAC4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine
SMILESCn1cc2c(N3CC(N4CCN(c5ccc(F)cc5)CC4)C3)ncnc2n1
InChIInChI=1S/C19H22FN7/c1-24-12-17-18(23-24)21-13-22-19(17)27-10-16(11-27)26-8-6-25(7-9-26)15-4-2-14(20)3-5-15/h2-5,12-13,16H,6-11H2,1H3
InChIKeyRQJVGRWCNTVJJT-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.51
Rot. Bonds3

About 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine

4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine (PubChem CID 126893222) has the molecular formula C19H22FN7 and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine
PubChem CID126893222
Molecular FormulaC19H22FN7
Molecular Weight367.43 g/mol
Exact Mass367.19
IUPAC Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine
SMILESCn1cc2c(N3CC(N4CCN(c5ccc(F)cc5)CC4)C3)ncnc2n1
InChIInChI=1S/C19H22FN7/c1-24-12-17-18(23-24)21-13-22-19(17)27-10-16(11-27)26-8-6-25(7-9-26)15-4-2-14(20)3-5-15/h2-5,12-13,16H,6-11H2,1H3
InChIKeyRQJVGRWCNTVJJT-UHFFFAOYSA-N
XLogP1.51
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-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-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine (CID 126893222) is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine is Cn1cc2c(N3CC(N4CCN(c5ccc(F)cc5)CC4)C3)ncnc2n1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine?
The InChIKey is RQJVGRWCNTVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7/c1-24-12-17-18(23-24)21-13-22-19(17)27-10-16(11-27)26-8-6-25(7-9-26)15-4-2-14(20)3-5-15/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine?
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine has a molecular weight of 367.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 126893222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).