4-{4-[6-(3-Amino-phenyl)-imidazo[1,2-a]pyrazin-8-ylamino]-phenyl}-piperazine-1-carboxylic Acid Tert-Butyl Ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(-c4cccc(N)c4)cn4ccnc34)cc2)CC1- InChIKey
JCAUDXGSCICBPT-UHFFFAOYSA-N- Molecular formula
- C27H31N7O2
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.25392326
Names & identifiers
- Preferred name
- 4-{4-[6-(3-Amino-phenyl)-imidazo[1,2-a]pyrazin-8-ylamino]-phenyl}-piperazine-1-carboxylic Acid Tert-Butyl Ester
- IUPAC
- tert-butyl 4-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2217712JCAUDXGSCICBPT-UHFFFAOYSA-N4-{4-[6-(3-Amino-phenyl)-imidazo[1,2-a]pyrazin-8-ylamino]-phenyl}-piperazine-1-carboxylic Acid Tert-Butyl Ester
Database identifiers
- PubChem CID
- 59754697
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 730
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Related reactions
3 records
Compound notes
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