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Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-

HCID 454732
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Basic information

CAS
147920-17-0
Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(NS(C)(=O)=O)cc3[nH]2)CC1
InChIKey
MNBKLKMYYXAKHM-UHFFFAOYSA-N
Molecular formula
C22H28N6O3S
Average molar mass
456.6 g/mol
Monoisotopic mass
456.19435995

Names & identifiers

Preferred name
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
IUPAC
N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-6-yl]methanesulfonamide

Names & synonyms

147920-17-0Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-DTXSID301638391-((6-(Methylsulfonylamino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine1-[[6-(Methylsulfonylamino)-2-indolyl]carbonyl]-4-[3-(isopropylamino)-2-pyridinyl]piperazinePiperazine, 1-[3-[(1-methylethyl)amino]-2-pyridinyl]-4-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-RefChem:202640DTXCID1086330CHEMBL37056BDBM2307N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-6-yl]methanesulfonamideN-[2-(4-{3-[(Propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-6-yl]methanesulfonamide
Show more names
N-[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-6-yl]methanesulfonamide

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
749

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Compound notes

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Database identifiers

CAS
147920-17-0
PubChem CID
454732
DTXSID
DTXSID30163839
ChEMBL
CHEMBL37056