1-((6-(Methylsulfonyloxy)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine

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Basic information

CAS: 147920-18-1
Standard SMILES: CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(OS(C)(=O)=O)cc3[nH]2)CC1
InChIKey: KOWJSJLFCQAMQC-UHFFFAOYSA-N
Molecular formula: C22H27N5O4S
Average molar mass: 457.5 g/mol
Monoisotopic mass: 457.17837553

Names & identifiers

Preferred name: 1-((6-(Methylsulfonyloxy)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
IUPAC: [2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-6-yl] methanesulfonate

Names & synonyms

147920-18-11-((6-(Methylsulfonyloxy)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine1-[[6-(Methylsulfonyloxy)-2-indolyl]carbonyl]-4-[3-(isopropylamino)-2-pyridinyl]piperazineCHEMBL36776BDBM2308DTXSID40163840[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-6-yl] methanesulfonate2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-6-yl methanesulfonate2-(4-{3-[(Propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-6-yl methanesulfonate

Database identifiers

CAS: 147920-18-1
PubChem CID: 454733
DTXSID: DTXSID40163840
ChEMBL: CHEMBL36776

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 116 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 750

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Compound notes

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