N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

C24H26N8O — CID 53196688

IUPACN-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1C
InChIInChI=1S/C24H26N8O/c1-17-6-7-19(13-18(17)2)29-22(33)15-32-24-20(14-28-32)23(26-16-27-24)31-11-9-30(10-12-31)21-5-3-4-8-25-21/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,29,33)
InChIKeyYCWMHBITPNTOBB-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.80
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (PubChem CID 53196688) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
PubChem CID53196688
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1C
InChIInChI=1S/C24H26N8O/c1-17-6-7-19(13-18(17)2)29-22(33)15-32-24-20(14-28-32)23(26-16-27-24)31-11-9-30(10-12-31)21-5-3-4-8-25-21/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,29,33)
InChIKeyYCWMHBITPNTOBB-UHFFFAOYSA-N
XLogP2.80
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.80
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
2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53196646
2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53196498
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196229
N-(3,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286623
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16608584
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
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-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (CID 53196688) is N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is YCWMHBITPNTOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-17-6-7-19(13-18(17)2)29-22(33)15-32-24-20(14-28-32)23(26-16-27-24)31-11-9-30(10-12-31)21-5-3-4-8-25-21/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,29,33).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 442.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53196688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).