1-((6-Hydroxy-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
Basic information
- CAS
147920-11-4- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1- InChIKey
OHVUAYIEDTWESZ-UHFFFAOYSA-N- Molecular formula
- C21H25N5O2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.20082506
Names & identifiers
- Preferred name
- 1-((6-Hydroxy-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
- IUPAC
- (6-hydroxy-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
147920-11-41-((6-Hydroxy-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine1-[(6-Hydroxy-2-indolyl)carbonyl]-4-[3-(isopropylamino)-2-pyridinyl]piperazineCHEMBL37080BDBM2299DTXSID70163833(6-Hydroxy-1H-indol-2-yl)(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)methanone(6-hydroxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-6-ol
Database identifiers
- CAS
147920-11-4- PubChem CID
- 454725
- DTXSID
DTXSID70163833- ChEMBL
CHEMBL37080
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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