Basic information
- Standard SMILES
O=C(Cc1cccs1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc(Cl)c(OCCN4CCCC4)c3)n2)c1- InChIKey
KRKDCXBJFLTYOL-UHFFFAOYSA-N- Molecular formula
- C35H32ClN7O2S
- Average molar mass
- 650.2 g/mol
Names & identifiers
- Preferred name
- N-[3-(3-{2-[(4-chloro-3-{[2-(1-pyrrolidinyl)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide
- IUPAC
- N-[3-[3-[2-[4-chloro-3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
Names & synonyms
SCHEMBL3545195KRKDCXBJFLTYOL-UHFFFAOYSA-NN-[3-(3-{2-[(4-chloro-3-{[2-(1-pyrrolidinyl)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide
Database identifiers
- PubChem CID
- 57737186
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 977
Related reactions
2 records
Compound notes
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