(S)-(3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)pyrrolidin-1-yl)(3-methyloxetan-3-yl)methanone
Basic information
- Standard SMILES
CC1(C(=O)N2CC[C@H](Nc3nc(-c4c[nH]c5ncc(Cl)cc45)ncc3F)C2)COC1- InChIKey
KCZMICXWQRMPRP-LBPRGKRZSA-N- Molecular formula
- C20H20ClFN6O2
- Average molar mass
- 430.9 g/mol
- Monoisotopic mass
- 430.1320298
Names & identifiers
- Preferred name
- (S)-(3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)pyrrolidin-1-yl)(3-methyloxetan-3-yl)methanone
- IUPAC
- [(3S)-3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone
Names & synonyms
SCHEMBL10007582KCZMICXWQRMPRP-LBPRGKRZSA-N(S)-(3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)pyrrolidin-1-yl)(3-methyloxetan-3-yl)methanone
Database identifiers
- PubChem CID
- 68007697
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 655
Related reactions
2 records
Compound notes
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