Compound A1AD3
Identifiers
- Canonical SMILES:
NC(=O)c1ncn(c2cnc3ncccc3c2)c1N
- IUPAC name:
(1M)-5-amino-1-(1,8-naphthyridin-3-yl)-1H-imidazole-4-carboxamide
- InChi:
InChI=1S/C12H10N6O/c13-10-9(11(14)19)17-6-18(10)8-4-7-2-1-3-15-12(7)16-5-8/h1-6H,13H2,(H2,14,19)
- InChiKey:
XEVIHIZMGQWKDF-UHFFFAOYSA-N
- SMARTS:
[#7]-[#6](=[#8])-[#6]1:[#7]:[#6]:[#7](-[#6]2:[#6]:[#7]:[#6]3:[#7]:[#6]:[#6]:[#6]:[#6]:3:[#6]:2):[#6]:1-[#7]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
175668032
A1AD3
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 254.09 g/mol | |||
| HBA | 5 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | 0.50 | |||
| TPSA | 112.71 | |||
| RB | 2 |