N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide

C19H32N6OS — CID 16809583

IUPACN-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide
SMILESCCCNc1nc(SC)nc2c1cnn2CCNC(=O)C(CCC)CCC
InChIInChI=1S/C19H32N6OS/c1-5-8-14(9-6-2)18(26)21-11-12-25-17-15(13-22-25)16(20-10-7-3)23-19(24-17)27-4/h13-14H,5-12H2,1-4H3,(H,21,26)(H,20,23,24)
InChIKeyDYVZWLCREZLUBB-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.70
Rot. Bonds12

About N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide

N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide (PubChem CID 16809583) has the molecular formula C19H32N6OS and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide
PubChem CID16809583
Molecular FormulaC19H32N6OS
Molecular Weight392.57 g/mol
Exact Mass392.24
IUPAC NameN-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide
SMILESCCCNc1nc(SC)nc2c1cnn2CCNC(=O)C(CCC)CCC
InChIInChI=1S/C19H32N6OS/c1-5-8-14(9-6-2)18(26)21-11-12-25-17-15(13-22-25)16(20-10-7-3)23-19(24-17)27-4/h13-14H,5-12H2,1-4H3,(H,21,26)(H,20,23,24)
InChIKeyDYVZWLCREZLUBB-UHFFFAOYSA-N
XLogP3.70
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide 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 N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide?
The IUPAC name of N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide (CID 16809583) is N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide.
What is the SMILES notation for N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide?
The canonical SMILES for N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide is CCCNc1nc(SC)nc2c1cnn2CCNC(=O)C(CCC)CCC.
What is the InChIKey of N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide?
The InChIKey is DYVZWLCREZLUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6OS/c1-5-8-14(9-6-2)18(26)21-11-12-25-17-15(13-22-25)16(20-10-7-3)23-19(24-17)27-4/h13-14H,5-12H2,1-4H3,(H,21,26)(H,20,23,24).
What are the key properties of N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide?
N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide has a molecular weight of 392.57 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide is sourced from PubChem (CID 16809583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).