1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine

C13H12FN5OS — CID 59633575

IUPAC1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(S(=O)c2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C13H12FN5OS/c1-2-19-12-10(11(15)16-7-17-12)13(18-19)21(20)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17)
InChIKeyFXOMMTPITNHULD-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.73
Rot. Bonds3

About 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine

1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633575) has the molecular formula C13H12FN5OS and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633575
Molecular FormulaC13H12FN5OS
Molecular Weight305.34 g/mol
Exact Mass305.07
IUPAC Name1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(S(=O)c2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C13H12FN5OS/c1-2-19-12-10(11(15)16-7-17-12)13(18-19)21(20)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17)
InChIKeyFXOMMTPITNHULD-UHFFFAOYSA-N
XLogP1.73
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine 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 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine (CID 59633575) is 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1nc(S(=O)c2ccc(F)cc2)c2c(N)ncnc21.
What is the InChIKey of 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FXOMMTPITNHULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5OS/c1-2-19-12-10(11(15)16-7-17-12)13(18-19)21(20)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine?
1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluorophenyl)sulfinylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).