6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C17H15FN6O3S — CID 139382103

IUPAC6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2ccc(S(C)(=O)=O)cc2F)n1
InChIInChI=1S/C17H15FN6O3S/c1-9-12(15(19)16-17(20-9)23-27-22-16)8-24-6-5-14(21-24)11-4-3-10(7-13(11)18)28(2,25)26/h3-7H,8,19H2,1-2H3
InChIKeyUJANKZNGJMQYSG-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.96
Rot. Bonds4

About 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139382103) has the molecular formula C17H15FN6O3S and a molecular weight of 402.41 g/mol. Its IUPAC name is 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139382103
Molecular FormulaC17H15FN6O3S
Molecular Weight402.41 g/mol
Exact Mass402.09
IUPAC Name6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2ccc(S(C)(=O)=O)cc2F)n1
InChIInChI=1S/C17H15FN6O3S/c1-9-12(15(19)16-17(20-9)23-27-22-16)8-24-6-5-14(21-24)11-4-3-10(7-13(11)18)28(2,25)26/h3-7H,8,19H2,1-2H3
InChIKeyUJANKZNGJMQYSG-UHFFFAOYSA-N
XLogP1.96
TPSA129.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-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 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139382103) is 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccc(S(C)(=O)=O)cc2F)n1.
What is the InChIKey of 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is UJANKZNGJMQYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O3S/c1-9-12(15(19)16-17(20-9)23-27-22-16)8-24-6-5-14(21-24)11-4-3-10(7-13(11)18)28(2,25)26/h3-7H,8,19H2,1-2H3.
What are the key properties of 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 402.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139382103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).