4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine

C18H21FN6 — CID 110433764

IUPAC4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine
SMILESCCN1CCN(c2ncnc3c2c(C)nn3-c2ccccc2F)CC1
InChIInChI=1S/C18H21FN6/c1-3-23-8-10-24(11-9-23)17-16-13(2)22-25(18(16)21-12-20-17)15-7-5-4-6-14(15)19/h4-7,12H,3,8-11H2,1-2H3
InChIKeyGNCGZPOXAWWMQA-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.40
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine

4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 110433764) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine
PubChem CID110433764
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC Name4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine
SMILESCCN1CCN(c2ncnc3c2c(C)nn3-c2ccccc2F)CC1
InChIInChI=1S/C18H21FN6/c1-3-23-8-10-24(11-9-23)17-16-13(2)22-25(18(16)21-12-20-17)15-7-5-4-6-14(15)19/h4-7,12H,3,8-11H2,1-2H3
InChIKeyGNCGZPOXAWWMQA-UHFFFAOYSA-N
XLogP2.40
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-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

Related Compounds

1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
CID 110435881
1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093
2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 110432120
7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 50749565
7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine
CID 155755183
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167931834
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 110433726
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
CID 112858117

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine (CID 110433764) is 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine is CCN1CCN(c2ncnc3c2c(C)nn3-c2ccccc2F)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GNCGZPOXAWWMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-3-23-8-10-24(11-9-23)17-16-13(2)22-25(18(16)21-12-20-17)15-7-5-4-6-14(15)19/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 340.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 110433764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).