Basic information
- Standard SMILES
CO[C@H]1CN(c2ncc(C#N)cn2)C[C@H]1Nc1c(C(N)=O)cnn2cc(Br)cc12- InChIKey
VSROJTKEWJNFTO-HIFRSBDPSA-N- Molecular formula
- C18H17BrN8O2
- Average molar mass
- 457.3 g/mol
Names & identifiers
- Preferred name
- 6-bromo-4-((3R,4S)-1-(5-cyanopyrimidin-2-yl)-4-methoxypyrrolidin-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
- IUPAC
- 6-bromo-4-[[(3R,4S)-1-(5-cyanopyrimidin-2-yl)-4-methoxypyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
Names & synonyms
SCHEMBL12491856VSROJTKEWJNFTO-HIFRSBDPSA-N6-bromo-4-(((3R,4S)-1-(5-cyanopyrimidin-2-yl)-4-methoxypyrrolidin-3-yl)amino)pyrrolo[1,2-b]pyridazine-3-carboxamide6-bromo-4-((3R,4S)-1-(5-cyanopyrimidin-2-yl)-4-methoxypyrrolidin-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
Database identifiers
- PubChem CID
- 68290759
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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