| CAS Number | 1229453-99-9 |
| Catalog Number | AG01FPMB(AGN-PC-3H5P18) |
| Chemical Name | Acrizanib |
| IUPAC Name | 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide |
| InChI | InChI=1S/C20H18F3N7O2/c1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,11,24H,10H2,1-2H3,(H,27,28,31) |
| InChI Key | XPIHPLVWOUDMPF-UHFFFAOYSA-N |
| MDL Number | MFCD31715417 |
| Molecular Formula | C20H18F3N7O2 |
| Molecular Weight | 445.3978 |
| SMILES | O=C(N1C=CC2=C1C=CC(OC3=NC=NC(CNC)=C3)=C2)NC4=NN(C)C(C(F)(F)F)=C4 |
| UNII | F2CB8801I3 |
| Synonyms | acrizanib,
LHA510,
N-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((6-((methylamino)methyl)pyrimidin-4-yl)oxy)-1H-indole-1-carboxamide,
Acrizanib,
1229453-99-9,
UNII-F2CB8801I3,
F2CB8801I3,
Acrizanib [INN],
SCHEMBL2498599,
CHEMBL4076112,
XPIHPLVWOUDMPF-UHFFFAOYSA-N,
EX-A3028,
HY-109020,
CS-0030518,
1H-Indole-1-carboxamide, 5-((6-((methylamino)methyl)-4-pyrimidinyl)oxy)-N-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-,
5-((6-((Methylamino)methyl)pyrimidin-4-yl)oxy)-N-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-1H-indole-1-carboxamide,
N-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((6-((methylamino)methyl)pyrimidin-4-yl)oxy)-1H-indole-1-carboxamide,
N-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-(6-((methylamino)methyl)pyrimidin-4-yloxy)-1H-indole-1-carboxamide,
|
| Complexity | 655 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.147407g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.4g/mol |
| Monoisotopic Mass | 445.147407g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number