2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H21F3N8O — CID 53196646

IUPAC2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H21F3N8O/c24-23(25,26)17-5-1-2-6-18(17)31-20(35)14-34-22-16(13-30-34)21(28-15-29-22)33-11-9-32(10-12-33)19-7-3-4-8-27-19/h1-8,13,15H,9-12,14H2,(H,31,35)
InChIKeyHFVPIAOQLHWVOB-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.21
Rot. Bonds5

About 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 53196646) has the molecular formula C23H21F3N8O and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID53196646
Molecular FormulaC23H21F3N8O
Molecular Weight482.47 g/mol
Exact Mass482.18
IUPAC Name2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H21F3N8O/c24-23(25,26)17-5-1-2-6-18(17)31-20(35)14-34-22-16(13-30-34)21(28-15-29-22)33-11-9-32(10-12-33)19-7-3-4-8-27-19/h1-8,13,15H,9-12,14H2,(H,31,35)
InChIKeyHFVPIAOQLHWVOB-UHFFFAOYSA-N
XLogP3.21
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196730
N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196688
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196229
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 133358312
1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone
CID 53196698
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196233
N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196550
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
N-[(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196338

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 53196646) is 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HFVPIAOQLHWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O/c24-23(25,26)17-5-1-2-6-18(17)31-20(35)14-34-22-16(13-30-34)21(28-15-29-22)33-11-9-32(10-12-33)19-7-3-4-8-27-19/h1-8,13,15H,9-12,14H2,(H,31,35).
What are the key properties of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 482.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53196646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).