| CAS Number | 1234015-54-3 |
| Catalog Number | AG009CIX |
| Chemical Name | 5-(5-(2-(3-aMinopropoxy)-6-Methoxyphenyl)-1H-pyrazol-3-ylaMino)pyrazine-2-carbonitrile hydrochloride |
| IUPAC Name | 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;dihydrochloride |
| InChI | InChI=1S/C18H19N7O2.2ClH/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17;;/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25);2*1H |
| InChI Key | KMEIPKXRCJTZBZ-UHFFFAOYSA-N |
| MDL Number | MFCD27918637 |
| Molecular Formula | C18H21Cl2N7O2 |
| Molecular Weight | 438.3110 |
| SMILES | Cl.Cl.NCCCOC1=C(C(=CC=C1)OC)C1=CC(=NN1)NC=1N=CC(=NC1)C#N |
| UNII | 9RFT476U2L |
| Synonyms | Prexasertib dihydrochloride,
1234015-54-3,
LY2606368 dihydrochloride,
UNII-9RFT476U2L,
Prexasertib (dihydrochloride),
9RFT476U2L,
Prexasertib (LY2606368),
LY2606368 (dihydrochloride),
LY-2606368 dihydrochloride,
LY2606368 Prexasertib HCl,
Prexasertib HCl (LY2606368),
BCP15627,
HY-18174A,
AKOS030526339,
CS-3507,
2-Pyrazinecarbonitrile, 5-((5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)-, hydrochloride (1:2),
S7178,
LY-2606368 dihydrochloride;Prexasertib dihydrochloride,
LY2606368,
|
| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.313g/mol |
| Monoisotopic Mass | 437.113g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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