Basic information
- Standard SMILES
CNc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)NC(=O)OC(C)(C)C- InChIKey
RHXSQDFJXBZSLL-LBPRGKRZSA-N- Molecular formula
- C21H27N5O3
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.21138974
Names & identifiers
- Preferred name
- tert-butyl{(1S)-2-[3-(aminocarbonyl)-2-(methylamino)-9H-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamate
- IUPAC
- tert-butyl N-[(2S)-1-[3-carbamoyl-2-(methylamino)pyrido[2,3-b]indol-9-yl]propan-2-yl]carbamate
Names & synonyms
SCHEMBL10148329RHXSQDFJXBZSLL-LBPRGKRZSA-Ntert-butyl {(1S)-2-[3-(aminocarbonyl)-2-(methylamino)-9H-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamatetert-butyl{(1S)-2-[3-(aminocarbonyl)-2-(methylamino)-9H-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamate
Database identifiers
- PubChem CID
- 59513645
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 608
Related reactions
4 records
Compound notes
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