Piperazine, 1-((5-hydroxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
Basic information
- CAS
136816-97-2- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1- InChIKey
AHNZDDRXVDLYMH-UHFFFAOYSA-N- Molecular formula
- C21H25N5O2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.20082506
Names & identifiers
- Preferred name
- Piperazine, 1-((5-hydroxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
- IUPAC
- (5-hydroxy-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
- English name
- PNU-88822
- Molecular formula
- C21H25N5O2
- Molecular weight
- 379.46
Names & synonyms
136816-97-2PNU-88822Piperazine, 1-((5-hydroxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-1-(3-(Isopropylamino)-2-pyridinyl)-4-((5-hydroxyindol-2-yl)carbonyl)piperazine1-[3-(Isopropylamino)-2-pyridinyl]-4-[(5-hydroxyindol-2-yl)carbonyl]piperazinePiperazine, 1-[(5-hydroxy-1H-indol-2-yl)carbonyl]-4-[3-[(1-methylethyl)amino]-2-pyridinyl]-CHEMBL38068BDBM2292DTXSID60159947(5-hydroxy-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanoneSMP2_000229BRD-K58304458-001-01-7
Show more names
Methanone, (5-hydroxy-1H-indol-2-yl)[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]-
(5-Hydroxy-1H-indol-2-yl)(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)methanone(5-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-5-ol
Database identifiers
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
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Related reactions
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Compound notes
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