| CAS Number | 1265822-30-7 |
| Catalog Number | AG009VST(AGN-PC-0WP233) |
| Chemical Name | 1,5-Dihydro-7-(phenylmethyl)-1-[3-(1-piperidinyl)propyl]-2-[4-(4-pyridinyl)phenyl]-6H-imidazo[4,5-g]quinoxalin-6-one |
| IUPAC Name | 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one |
| InChI | InChI=1S/C35H34N6O/c42-35-32(22-25-8-3-1-4-9-25)37-30-24-33-31(23-29(30)39-35)38-34(41(33)21-7-20-40-18-5-2-6-19-40)28-12-10-26(11-13-28)27-14-16-36-17-15-27/h1,3-4,8-17,23-24H,2,5-7,18-22H2,(H,39,42) |
| InChI Key | BSSBAJKNZOHHCA-UHFFFAOYSA-N |
| MDL Number | MFCD28160470 |
| Molecular Formula | C35H34N6O |
| Molecular Weight | 554.6841 |
| SMILES | O=C1NC=2C=C3N=C(C=4C=CC(=CC4)C=5C=CN=CC5)N(C3=CC2N=C1CC=6C=CC=CC6)CCCN7CCCCC7 |
| Synonyms | 7-benzyl-1-(3-(piperidin-1-yl)propyl)-2-(4-(pyridin-4-yl)phenyl)-1H-imidazo(4,5-g)quinoxalin-6(5H)-one,
CTA056,
cta056,
1265822-30-7,
CTA 056,
SCHEMBL12914756,
AKOS027470150,
ZINC144251101,
1,5-Dihydro-7-(phenylmethyl)-1-[3-(1-piperidinyl)propyl]-2-[4-(4-pyridinyl)phenyl]-6H-imidazo[4,5-g]quinoxalin-6-one,
BSSBAJKNZOHHCA-UHFFFAOYSA-N,
|
| Complexity | 914 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 554.279g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 554.698g/mol |
| Monoisotopic Mass | 554.279g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
Lot Number