| CAS Number | 1454808-95-7 |
| Catalog Number | AG01ENHS(AGN-PC-3H45M0) |
| Chemical Name | tert-Butyl(2-((3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)ethyl)(methyl)carbamate |
| IUPAC Name | tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate |
| InChI | InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25) |
| InChI Key | YNQNYIHMAZLJAV-UHFFFAOYSA-N |
| MDL Number | MFCD31689244 |
| Molecular Formula | C21H26N6O3 |
| Molecular Weight | 410.4695 |
| SMILES | O=C(N(C)CCNC1C=CC2=NC=C(C3C=CC(C(=O)N)=CC=3)N2N=1)OC(C)(C)C |
| Synonyms | 1454808-95-7,
SCHEMBL15254763,
YNQNYIHMAZLJAV-UHFFFAOYSA-N,
LP 922761,
{2-[3-(4-Carbamoyl-phenyl)-imidazo[1,2-b]pyridazin-6-ylamino]-ethyl}-methyl-carbamic acid tert-butyl ester,
tert-Butyl (2-((3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)ethyl)(methyl)carbamate,
tert-Butyl(2-((3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)ethyl)(methyl)carbamate,
|
| Complexity | 602 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.207g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.478g/mol |
| Monoisotopic Mass | 410.207g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number