N-acetyl-2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide
Basic information
- Standard SMILES
CC(=O)N(C(=O)c1cccc(C2(C#N)CC2)c1Cl)c1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F- InChIKey
UEAPEIKCIQSVDK-UHFFFAOYSA-N- Molecular formula
- C29H21ClFN5O4S
- Average molar mass
- 590 g/mol
- Monoisotopic mass
- 589.0986812
Names & identifiers
- Preferred name
- N-acetyl-2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide
- IUPAC
- N-acetyl-2-chloro-3-(1-cyanocyclopropyl)-N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-fluorophenyl]benzamide
Names & synonyms
SCHEMBL2862388UEAPEIKCIQSVDK-UHFFFAOYSA-NN-acetyl-2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide
Database identifiers
- PubChem CID
- 45255352
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
2 records
Compound notes
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