Basic information
- Standard SMILES
CN(C)C1CCN(C(=O)c2ccncc2N=C(O)c2nc(C3CC3)ccc2Nc2cncnc2)C1- InChIKey
RVNCHVNYJUBWSY-UHFFFAOYSA-N- Molecular formula
- C25H28N8O2
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.23352217
Names & identifiers
- Preferred name
- 6-Cyclopropyl-N-[4-(3-dimethylamino-pyrrolidine-1-carbonyl)-pyridin-3-yl]-3-(pyrimidin-5-ylamino)-pyridine-2-carboximidic acid
- IUPAC
- 6-cyclopropyl-N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
Names & synonyms
SCHEMBL7521228SCHEMBL7521263RVNCHVNYJUBWSY-UHFFFAOYSA-N6-Cyclopropyl-N-[4-(3-dimethylamino-pyrrolidine-1-carbonyl)-pyridin-3-yl]-3-(pyrimidin-5-ylamino)-pyridine-2-carboximidic acid
Database identifiers
- PubChem CID
- 54760376
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 741
Related reactions
2 records
Compound notes
Loading…