N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide

C28H25FN6O3S — CID 59426236

IUPACN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1F
InChIInChI=1S/C28H25FN6O3S/c1-17(2)16-39(36,37)34-24-9-6-18(12-23(24)29)27-22(14-30)21-8-7-20(13-26(21)35(27)19-4-3-5-19)38-28-25(15-31)32-10-11-33-28/h6-13,17,19,34H,3-5,16H2,1-2H3
InChIKeyJYFDKGXUHAYXIA-UHFFFAOYSA-N
MW544.61 g/mol
LogP5.90
Rot. Bonds8

About N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide

N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide (PubChem CID 59426236) has the molecular formula C28H25FN6O3S and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide
PubChem CID59426236
Molecular FormulaC28H25FN6O3S
Molecular Weight544.61 g/mol
Exact Mass544.17
IUPAC NameN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1F
InChIInChI=1S/C28H25FN6O3S/c1-17(2)16-39(36,37)34-24-9-6-18(12-23(24)29)27-22(14-30)21-8-7-20(13-26(21)35(27)19-4-3-5-19)38-28-25(15-31)32-10-11-33-28/h6-13,17,19,34H,3-5,16H2,1-2H3
InChIKeyJYFDKGXUHAYXIA-UHFFFAOYSA-N
XLogP5.90
TPSA133.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.61
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide 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 N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide (CID 59426236) is N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1F.
What is the InChIKey of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide?
The InChIKey is JYFDKGXUHAYXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O3S/c1-17(2)16-39(36,37)34-24-9-6-18(12-23(24)29)27-22(14-30)21-8-7-20(13-26(21)35(27)19-4-3-5-19)38-28-25(15-31)32-10-11-33-28/h6-13,17,19,34H,3-5,16H2,1-2H3.
What are the key properties of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide?
N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 544.61 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]-2-fluorophenyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 59426236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).