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

C23H38N6O — CID 71225970

IUPACN-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C23H38N6O/c1-22(2,3)17-9-13-28(14-10-17)11-7-8-12-29-20-18(15-26-29)19(24-16-25-20)27-21(30)23(4,5)6/h15-17H,7-14H2,1-6H3,(H,24,25,27,30)
InChIKeyAAHDLHPMFYUMJL-UHFFFAOYSA-N
MW414.60 g/mol
LogP4.35
Rot. Bonds6

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

N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 71225970) has the molecular formula C23H38N6O and a molecular weight of 414.60 g/mol. Its IUPAC name is N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
PubChem CID71225970
Molecular FormulaC23H38N6O
Molecular Weight414.60 g/mol
Exact Mass414.31
IUPAC NameN-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C23H38N6O/c1-22(2,3)17-9-13-28(14-10-17)11-7-8-12-29-20-18(15-26-29)19(24-16-25-20)27-21(30)23(4,5)6/h15-17H,7-14H2,1-6H3,(H,24,25,27,30)
InChIKeyAAHDLHPMFYUMJL-UHFFFAOYSA-N
XLogP4.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide (CID 71225970) is N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is AAHDLHPMFYUMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O/c1-22(2,3)17-9-13-28(14-10-17)11-7-8-12-29-20-18(15-26-29)19(24-16-25-20)27-21(30)23(4,5)6/h15-17H,7-14H2,1-6H3,(H,24,25,27,30).
What are the key properties of N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 414.60 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-tert-butylpiperidin-1-yl)butyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71225970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).