4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide

C19H24N6OS — CID 134164063

IUPAC4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCC(CC)n1nc(C(=O)Nc2ccc(CSC)cc2)c2c(N)ncnc21
InChIInChI=1S/C19H24N6OS/c1-4-14(5-2)25-18-15(17(20)21-11-22-18)16(24-25)19(26)23-13-8-6-12(7-9-13)10-27-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,26)(H2,20,21,22)
InChIKeyJIKZBVAVTQQFEL-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.88
Rot. Bonds7

About 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide

4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 134164063) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID134164063
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCC(CC)n1nc(C(=O)Nc2ccc(CSC)cc2)c2c(N)ncnc21
InChIInChI=1S/C19H24N6OS/c1-4-14(5-2)25-18-15(17(20)21-11-22-18)16(24-25)19(26)23-13-8-6-12(7-9-13)10-27-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,26)(H2,20,21,22)
InChIKeyJIKZBVAVTQQFEL-UHFFFAOYSA-N
XLogP3.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide 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 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 134164063) is 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide is CCC(CC)n1nc(C(=O)Nc2ccc(CSC)cc2)c2c(N)ncnc21.
What is the InChIKey of 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is JIKZBVAVTQQFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-4-14(5-2)25-18-15(17(20)21-11-22-18)16(24-25)19(26)23-13-8-6-12(7-9-13)10-27-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,26)(H2,20,21,22).
What are the key properties of 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(methylsulfanylmethyl)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 134164063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).