| CAS Number | 1435934-00-1 |
| Catalog Number | AG00ATET |
| Chemical Name | LDN-193189 (hydrochloride) |
| IUPAC Name | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;dihydrochloride |
| InChI | InChI=1S/C25H22N6.2ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;;/h1-10,15-17,26H,11-14H2;2*1H |
| InChI Key | CMQXLLAILGGLRV-UHFFFAOYSA-N |
| MDL Number | MFCD23098917 |
| Molecular Formula | C25H24Cl2N6 |
| Molecular Weight | 479.4043 |
| SMILES | C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl.Cl |
| Synonyms | 1435934-00-1,
LDN-193189 2HCl,
LDN 193189 hydrochloride,
LDN 193189 dihydrochloride,
AKOS030210987,
4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline dihydrochloride,
CMQXLLAILGGLRV-UHFFFAOYSA-N,
LDN 193189 hydrochloride - DM 3189 hydrochloride,
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| Complexity | 587 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.409g/mol |
| Monoisotopic Mass | 478.144g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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