Metabolite BMT-153261
- Name
- BMT-153261
- Description
- Not Available
- Structure
Structure for BMT-153261
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 411.44
Monoisotopic: 411.184666774 - Chemical Formula
- C19H20N8O3
- InChI Key
- XBCNGNFFOGQNGK-FIBGUPNXSA-N
- InChI
- InChI=1S/C19H20N8O3/c1-20-19(29)15-13(8-14(25-26-15)24-18(28)10-6-7-10)23-12-5-3-4-11(16(12)30-2)17-21-9-22-27-17/h3-5,8-10H,6-7H2,1-2H3,(H,20,29)(H,21,22,27)(H2,23,24,25,28)/i1D3
- IUPAC Name
- 6-cyclopropaneamido-4-{[2-methoxy-3-(1H-1,2,4-triazol-3-yl)phenyl]amino}-N-(2H3)methylpyridazine-3-carboxamide
- SMILES
- [2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NNC=N3)=C2OC)C=C(NC(=O)C2CC2)N=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 128942665
- Predicted Properties
Property Value Source Water Solubility 0.0127 mg/mL ALOGPS logP 1.61 ALOGPS logP 2.07 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 9.68 Chemaxon pKa (Strongest Basic) 2.41 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 146.81 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 123.17 m3·mol-1 Chemaxon Polarizability 42.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon