chempirical

N-[(1,2-Dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-1-[1-[1-(ethylsulfonyl)-4-piperidinyl]ethyl]-2-methyl-1H-indole-3-carboxamide

C27H36N4O5SCAS 1450655-76-1528.67 g/mol

Open in Covalent MOL file
SOONNONHONHO
EtherPhenolSulfonamide

Properties

Molecular formula
C27H36N4O5S
Molar mass
528.67 g/mol
Exact mass
528.2406 Da
logP
4.49Crippen estimate
Polar surface area
117.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
8

Identifiers

CAS number
1450655-76-1
SMILES
CCS(=O)(=O)N1CCC(C(C)n2c(C)c(C(O)=NCc3c(OC)cc(C)nc3O)c3ccccc32)CC1
InChIKey
LHGUZCKPFXXVPV-UHFFFAOYSA-N
InChI
InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)

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Names and synonyms

4 names
  • 1H-Indole-3-carboxamide, N-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-1-[1-[1-(ethylsulfonyl)-4-piperidinyl]ethyl]-2-methyl-
  • 1-(1-(1-(Ethylsulfonyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
  • CPI 169
  • 1-[1-(1-Ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

Work with N-[(1,2-Dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-1-[1-[1-(ethylsulfonyl)-4-piperidinyl]ethyl]-2-methyl-1H-indole-3-carboxamide

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Similar compounds

Tazemetostat1403254-99-830 % similar N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide1346574-57-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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