Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1- InChIKey
IZMQTBFHDQBFNO-UHFFFAOYSA-N- Molecular formula
- C16H19ClN4O2
- Average molar mass
- 334.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylate876343-11-2SCHEMBL5005001IZMQTBFHDQBFNO-UHFFFAOYSA-NDB-3356924-(4-chloro-7H-pyrrolo[2,3-d]-pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl estertert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]-pyrimidin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylate
Database identifiers
- PubChem CID
- 58709797
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Related reactions
42 records
Compound notes
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