4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C15H15FN6O2S — CID 59591792

IUPAC4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1[nH]nc2nc(Nc3ccccc3F)nc(NC3CC3)c12
InChIInChI=1S/C15H15FN6O2S/c1-25(23,24)14-11-12(17-8-6-7-8)19-15(20-13(11)21-22-14)18-10-5-3-2-4-9(10)16/h2-5,8H,6-7H2,1H3,(H3,17,18,19,20,21,22)
InChIKeyPZDDAXBJKKFVBA-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.21
Rot. Bonds5

About 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 59591792) has the molecular formula C15H15FN6O2S and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID59591792
Molecular FormulaC15H15FN6O2S
Molecular Weight362.39 g/mol
Exact Mass362.10
IUPAC Name4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1[nH]nc2nc(Nc3ccccc3F)nc(NC3CC3)c12
InChIInChI=1S/C15H15FN6O2S/c1-25(23,24)14-11-12(17-8-6-7-8)19-15(20-13(11)21-22-14)18-10-5-3-2-4-9(10)16/h2-5,8H,6-7H2,1H3,(H3,17,18,19,20,21,22)
InChIKeyPZDDAXBJKKFVBA-UHFFFAOYSA-N
XLogP2.21
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 59591792) is 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is CS(=O)(=O)c1[nH]nc2nc(Nc3ccccc3F)nc(NC3CC3)c12.
What is the InChIKey of 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is PZDDAXBJKKFVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2S/c1-25(23,24)14-11-12(17-8-6-7-8)19-15(20-13(11)21-22-14)18-10-5-3-2-4-9(10)16/h2-5,8H,6-7H2,1H3,(H3,17,18,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 362.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(2-fluorophenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 59591792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).