1-Cyclopropyl-3-(3-fluoro-4-(2-(5-((4-(2,2,2-trifluoroethyl)piperazin-1-yl)methyl)-pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)urea
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Basic information
- Standard SMILES
O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCN(CC(F)(F)F)CC5)cn4)sc23)c(F)c1)NC1CC1- InChIKey
MDKNHEJNZSFWHH-UHFFFAOYSA-N- Molecular formula
- C29H28F4N6O2S
- Average molar mass
- 600.6 g/mol
- Monoisotopic mass
- 600.19305798
Names & identifiers
- Preferred name
- 1-Cyclopropyl-3-(3-fluoro-4-(2-(5-((4-(2,2,2-trifluoroethyl)piperazin-1-yl)methyl)-pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)urea
- IUPAC
- 1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
Names & synonyms
1-cyclopropyl-3-(3-fluoro-4-(2-(5-((4-(2,2,2-trifluoroethyl)piperazin-1-yl)methyl)-pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)ureaSCHEMBL2534704
Database identifiers
- PubChem CID
- 67442452
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 908
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Related reactions
1 records
Compound notes
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