| CAS Number | 1679330-37-0 |
| Catalog Number | AG01E2NZ |
| Chemical Name | 3-(2-Methyl-4-pyrimidinyl)-1-(phenylmethyl)-1H-pyrrolo[2,3-c]pyridine |
| IUPAC Name | 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine |
| InChI | InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3 |
| InChI Key | CZCUSHJQJWKYTD-UHFFFAOYSA-N |
| MDL Number | MFCD30720886 |
| Molecular Formula | C19H16N4 |
| Molecular Weight | 300.3571 |
| SMILES | CC1=NC=CC(C2=CN(CC3=CC=CC=C3)C4=CN=CC=C42)=N1 |
| Synonyms | AZ Dyrk1B 33,
1679330-37-0,
CHEMBL3421980,
3-(2-Methyl-4-pyrimidinyl)-1-(phenylmethyl)-1H-pyrrolo[2,3-c]pyridine,
BDBM50081189,
AKOS030210999,
CZCUSHJQJWKYTD-UHFFFAOYSA-N,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.365g/mol |
| Monoisotopic Mass | 300.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number