3-Amino-5-(3,5-difluorobenzyl)-1H-indazole - CAS 1108745-30-7
Catalog: |
BB002684 |
Product Name: |
3-Amino-5-(3,5-difluorobenzyl)-1H-indazole |
CAS: |
1108745-30-7 |
Synonyms: |
5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine; 5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine |
IUPAC Name: | 5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine |
Description: | 3-Amino-5-(3,5-difluorobenzyl)-1H-indazole (CAS# 1108745-30-7 ) is a useful research chemical. |
Molecular Weight: | 259.25 |
Molecular Formula: | C14H11F2N3 |
Canonical SMILES: | C1=CC2=C(C=C1CC3=CC(=CC(=C3)F)F)C(=NN2)N |
InChI: | InChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)7-10)3-8-1-2-13-12(6-8)14(17)19-18-13/h1-2,4-7H,3H2,(H3,17,18,19) |
InChI Key: | CZQCRNRCCQSJHD-UHFFFAOYSA-N |
LogP: | 3.59530 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021197467-A1 | Multi-target anti-tumor compound, preparation method therefor and use thereof | 20200402 |
WO-2021170109-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20200226 |
WO-2020038415-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20180822 |
CN-112888681-A | Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use | 20180822 |
EP-3841098-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20180822 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.09210369 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.09210369 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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