N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide

C21H34N6O — CID 71225947

IUPACN-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C21H34N6O/c1-20(2,3)15-7-9-26(10-8-15)11-12-27-18-16(13-24-27)17(22-14-23-18)25-19(28)21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,23,25,28)
InChIKeyUKNZGXIABNKLCS-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.57
Rot. Bonds4

About N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 71225947) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
PubChem CID71225947
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC NameN-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C21H34N6O/c1-20(2,3)15-7-9-26(10-8-15)11-12-27-18-16(13-24-27)17(22-14-23-18)25-19(28)21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,23,25,28)
InChIKeyUKNZGXIABNKLCS-UHFFFAOYSA-N
XLogP3.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide 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-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-butylurea hydrochloride
CID 71222835
N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222985
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222995
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223000
N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 71223095
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4,4-difluorocyclohexanecarbox-amide maleate
CID 71223100
N-(1-(2-(Diisopropylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide hydrochloride
CID 71223119
N-(1-(4-(azepan-1-yl)butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223161
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223185
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,3,3-tetramethylcyclopropane-carboxamide citrate
CID 71223204
1-Cyclopentyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223206

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide (CID 71225947) is N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is UKNZGXIABNKLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-20(2,3)15-7-9-26(10-8-15)11-12-27-18-16(13-24-27)17(22-14-23-18)25-19(28)21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,23,25,28).
What are the key properties of N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 386.54 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71225947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).