Basic information
- Standard SMILES
O=C(NC1CCOC1)c1ccncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1- InChIKey
XDZDLDHTMBQXIU-UHFFFAOYSA-N- Molecular formula
- C22H22N8O3
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.18148659
Names & identifiers
- Preferred name
- 6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [4-(tetrahydro-furan-3-ylcarbamoyl)-pyridin-3-yl]-amide
- IUPAC
- 6-cyclopropyl-N-[4-(oxolan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
Names & synonyms
CHEMBL3685523SCHEMBL12069498XDZDLDHTMBQXIU-UHFFFAOYSA-NBDBM120500US8703768, 1006-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [4-(tetrahydro-furan-3-ylcarbamoyl)-pyridin-3-yl]-amide
Database identifiers
- PubChem CID
- 58548271
- ChEMBL
CHEMBL3685523
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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