| CAS Number | 1356962-34-9 |
| Catalog Number | AG009CC9 |
| Chemical Name | 5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidin-2-amine |
| IUPAC Name | 5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine |
| InChI | InChI=1S/C29H34ClN7O/c1-35-13-15-37(16-14-35)20-9-11-36(12-10-20)21-7-8-26(27(17-21)38-2)33-29-32-19-24(30)28(34-29)23-18-31-25-6-4-3-5-22(23)25/h3-8,17-20,31H,9-16H2,1-2H3,(H,32,33,34) |
| InChI Key | HRYNCLKDKCPYBF-UHFFFAOYSA-N |
| MDL Number | MFCD28167799 |
| Molecular Formula | C29H34ClN7O |
| Molecular Weight | 532.0796 |
| SMILES | ClC=1C(=NC(=NC1)NC1=C(C=C(C=C1)N1CCC(CC1)N1CCN(CC1)C)OC)C1=CNC2=CC=CC=C12 |
| Synonyms | HG-14-10-04,
1356962-34-9,
5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidin-2-amine,
5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine,
SCHEMBL517288,
CHEBI:95092,
HRYNCLKDKCPYBF-UHFFFAOYSA-N,
BCP24835,
EX-A2545,
AKOS030526448,
ZINC114002844,
CS-3257,
NCGC00390583-01,
HG141004,
HY-15801,
A16267,
[5-Chloro-4-(1H-indol-3-yl)-pyrimidin-2-yl]-{2-methoxy-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenyl}-amine,
|
| Complexity | 746 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 531.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 532.089g/mol |
| Monoisotopic Mass | 531.251g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number