2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C24H22F3N7O2 — CID 53196569

IUPAC2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)36-19-8-6-17(7-9-19)31-21(35)15-34-23-20(14-30-34)22(28-16-29-23)33-12-10-32(11-13-33)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,31,35)
InChIKeyZQPADPLULPNULO-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 53196569) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID53196569
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Name2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)36-19-8-6-17(7-9-19)31-21(35)15-34-23-20(14-30-34)22(28-16-29-23)33-12-10-32(11-13-33)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,31,35)
InChIKeyZQPADPLULPNULO-UHFFFAOYSA-N
XLogP3.69
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide 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 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 53196569) is 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is ZQPADPLULPNULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c25-24(26,27)36-19-8-6-17(7-9-19)31-21(35)15-34-23-20(14-30-34)22(28-16-29-23)33-12-10-32(11-13-33)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,31,35).
What are the key properties of 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 497.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 53196569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).