methanesulfonic acid;N-[2-[4-[4-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

HCID 60925

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Basic information

CAS: 148692-47-1
Standard SMILES: CC(C)Nc1ccnc(N2CCN(C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3)CC2)c1.CS(=O)(=O)O
InChIKey: UBOQNXNGLOIXQI-UHFFFAOYSA-N
Molecular formula: C23H32N6O6S2
Average molar mass: 552.7 g/mol
Monoisotopic mass: 552.18247511

Names & identifiers

Preferred name: methanesulfonic acid;N-[2-[4-[4-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
IUPAC: methanesulfonic acid;N-[2-[4-[4-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

Names & synonyms

AC1Q6WDBDTXSID50275665148692-47-1NS00121595Methanesulfonic acid--N-[2-(4-{4-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]methanesulfonamide (1/1)

Database identifiers

CAS: 148692-47-1
PubChem CID: 60925
DTXSID: DTXSID50275665

Properties

Computed structural properties

Topological polar surface area: 182 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 37
Formal charge: 0
Complexity: 842

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