5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine

C17H16F5N5O2S — CID 155102337

IUPAC5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(NC)nc1-c1cc2cnn(CC(F)(F)C(F)(F)F)c2cn1
InChIInChI=1S/C17H16F5N5O2S/c1-3-30(28,29)13-4-5-14(23-2)26-15(13)11-6-10-7-25-27(12(10)8-24-11)9-16(18,19)17(20,21)22/h4-8H,3,9H2,1-2H3,(H,23,26)
InChIKeyAXWQMBABCAACCB-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.53
Rot. Bonds6

About 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine

5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine (PubChem CID 155102337) has the molecular formula C17H16F5N5O2S and a molecular weight of 449.41 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine
PubChem CID155102337
Molecular FormulaC17H16F5N5O2S
Molecular Weight449.41 g/mol
Exact Mass449.09
IUPAC Name5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(NC)nc1-c1cc2cnn(CC(F)(F)C(F)(F)F)c2cn1
InChIInChI=1S/C17H16F5N5O2S/c1-3-30(28,29)13-4-5-14(23-2)26-15(13)11-6-10-7-25-27(12(10)8-24-11)9-16(18,19)17(20,21)22/h4-8H,3,9H2,1-2H3,(H,23,26)
InChIKeyAXWQMBABCAACCB-UHFFFAOYSA-N
XLogP3.53
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-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 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine (CID 155102337) is 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine is CCS(=O)(=O)c1ccc(NC)nc1-c1cc2cnn(CC(F)(F)C(F)(F)F)c2cn1.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine?
The InChIKey is AXWQMBABCAACCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5N5O2S/c1-3-30(28,29)13-4-5-14(23-2)26-15(13)11-6-10-7-25-27(12(10)8-24-11)9-16(18,19)17(20,21)22/h4-8H,3,9H2,1-2H3,(H,23,26).
What are the key properties of 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine?
5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine has a molecular weight of 449.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 155102337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).