4-(2-(5-(1-(Tert-butoxycarbonyl)piperidin-4-ylamino)pyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinic acid
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2ccc(Nc3ncc(Sc4ccnc(C(=O)O)c4F)s3)nc2)CC1- InChIKey
ROBIRRRPGXIXDG-UHFFFAOYSA-N- Molecular formula
- C24H27FN6O4S2
- Average molar mass
- 546.6 g/mol
Names & identifiers
- Preferred name
- 4-(2-(5-(1-(Tert-butoxycarbonyl)piperidin-4-ylamino)pyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinic acid
- IUPAC
- 3-fluoro-4-[[2-[[5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-pyridinyl]amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL2066332ROBIRRRPGXIXDG-UHFFFAOYSA-N4-(2-(5-(1-(tert-butoxycarbonyl)piperidin-4-ylamino)pyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinic acid
Database identifiers
- PubChem CID
- 59200475
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 785
Related reactions
2 records
Compound notes
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