4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine

C24H23ClF2N6 — CID 170615235

IUPAC4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1c1nc(Cl)nc2c1cnn2C
InChIInChI=1S/C24H23ClF2N6/c1-15-14-32(11-12-33(15)23-20-13-28-31(2)22(20)29-24(25)30-23)21(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,13,15,21H,11-12,14H2,1-2H3
InChIKeyFMSFKEOCXWTFNU-UHFFFAOYSA-N
MW468.94 g/mol
LogP4.59
Rot. Bonds4

About 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine

4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 170615235) has the molecular formula C24H23ClF2N6 and a molecular weight of 468.94 g/mol. Its IUPAC name is 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID170615235
Molecular FormulaC24H23ClF2N6
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1c1nc(Cl)nc2c1cnn2C
InChIInChI=1S/C24H23ClF2N6/c1-15-14-32(11-12-33(15)23-20-13-28-31(2)22(20)29-24(25)30-23)21(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,13,15,21H,11-12,14H2,1-2H3
InChIKeyFMSFKEOCXWTFNU-UHFFFAOYSA-N
XLogP4.59
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-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

Related Compounds

6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-9-methylpurine
CID 170450183
7-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-5-chloro-2,3-dimethylimidazo[4,5-b]pyridine
CID 176717007
6-[4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-chloro-8,9-dimethylpurine;ethane;oxolane
CID 170615267
2-chloro-8,9-dimethyl-6-[2-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]purine
CID 177060280
2-[6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-hydrazinylpurin-9-yl]-N,N-dimethylethanamine
CID 177060998
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248
6-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3,8,9-trimethylpurin-2-one;ethane;oxolane
CID 176717082
4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-chlorothieno[3,2-d]pyrimidine
CID 170433786
4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95867255
2-chloro-6-[4-[(3,3-difluorocyclobutyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methylpiperazin-1-yl]-8,9-dimethylpurine
CID 170615361
4-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221358
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 33379975

Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine (CID 170615235) is 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine is CC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1c1nc(Cl)nc2c1cnn2C.
What is the InChIKey of 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is FMSFKEOCXWTFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N6/c1-15-14-32(11-12-33(15)23-20-13-28-31(2)22(20)29-24(25)30-23)21(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,13,15,21H,11-12,14H2,1-2H3.
What are the key properties of 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine?
4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 468.94 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 170615235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).