1-((5-(Methylsulfonyloxy)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
Basic information
- CAS
147920-13-6- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(OS(C)(=O)=O)ccc3[nH]2)CC1- InChIKey
SSIWXYMSAZJWGL-UHFFFAOYSA-N- Molecular formula
- C22H27N5O4S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.17837553
Names & identifiers
- Preferred name
- 1-((5-(Methylsulfonyloxy)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
- IUPAC
- [2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl] methanesulfonate
Names & synonyms
147920-13-61-((5-(Methylsulfonyloxy)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine1-[[5-(Methylsulfonyloxy)-2-indolyl]carbonyl]-4-[3-(isopropylamino)-2-pyridinyl]piperazineCHEMBL37888BDBM2302SCHEMBL6362889SCHEMBL29683747DTXSID90163835[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl] methanesulfonate2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl methanesulfonate2-(4-{3-[(Propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl methanesulfonate
Database identifiers
- CAS
147920-13-6- PubChem CID
- 454728
- DTXSID
DTXSID90163835- ChEMBL
CHEMBL37888
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 750
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Related reactions
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Compound notes
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