Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((6-(phenylmethoxy)-1H-indol-2-yl)carbonyl)-
Basic information
- CAS
147920-10-3- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)CC1- InChIKey
XBONUMIBPKOTKV-UHFFFAOYSA-N- Molecular formula
- C28H31N5O2
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.24777525
Names & identifiers
- Preferred name
- Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((6-(phenylmethoxy)-1H-indol-2-yl)carbonyl)-
- IUPAC
- (6-phenylmethoxy-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
147920-10-3Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((6-(phenylmethoxy)-1H-indol-2-yl)carbonyl)-N-(6-Benzyloxy-2-indolcarbonyl)-N'-(3-(isopropylamino)-2-pyridinyl)piperazineN-[6-Benzyloxy-2-indolcarbonyl]-N'-[3-(isopropylamino)-2-pyridinyl]piperazinePiperazine, 1-[3-[(1-methylethyl)amino]-2-pyridinyl]-4-[[6-(phenylmethoxy)-1H-indol-2-yl]carbonyl]-CHEMBL37994BDBM2298DTXSID10163832(6-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone[6-(Benzyloxy)-1H-indol-2-yl](4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)methanone2-(4-{[6-(benzyloxy)-1H-indol-2-yl]carbonyl}piperazin-1-yl)-N-(propan-2-yl)pyridin-3-amine
Database identifiers
- CAS
147920-10-3- PubChem CID
- 453392
- DTXSID
DTXSID10163832- ChEMBL
CHEMBL37994
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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