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Basic information
- Standard SMILES
Cc1noc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2CCN(C(=O)OC(C)(C)C)CC2)n1- InChIKey
ZJZTVOKQGLQKAX-UHFFFAOYSA-N- Molecular formula
- C24H29N9O3
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.23933582
Names & identifiers
- Preferred name
- tert-Butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL619445ZJZTVOKQGLQKAX-UHFFFAOYSA-Ntert-Butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59613367
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 777
Related reactions
5 records
Compound notes
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