Copanlisib impurity A - CAS 2132943-82-7
Catalog: |
BB074076 |
Product Name: |
Copanlisib impurity A |
CAS: |
2132943-82-7 |
Synonyms: |
2-Amino-N-[8-[3-[formyl(2-hydroxyethyl)amino]propoxy]-2,3-dihydro-7-methoxyimidazo[1,2-c]quinazolin-5-yl]-5-pyrimidinecarb oxamide |
IUPAC Name: | 2-amino-N-[8-[3-[formyl(2-hydroxyethyl)amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide |
Molecular Weight: | 482.5 |
Molecular Formula: | C22H26N8O5 |
Canonical SMILES: | COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN(CCO)C=O |
InChI: | InChI=1S/C22H26N8O5/c1-34-18-16(35-10-2-6-29(13-32)8-9-31)4-3-15-17(18)27-22(30-7-5-24-19(15)30)28-20(33)14-11-25-21(23)26-12-14/h3-4,11-13,24,31H,2,5-10H2,1H3,(H2,23,25,26) |
InChI Key: | WUHONQMSQJGZTK-UHFFFAOYSA-N |
Complexity: | 980 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 482.20261596 |
Formal Charge: | 0 |
Heavy Atom Count: | 35 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 482.20261596 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 168Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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