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SummaryGeometryRelated PDB entries

A1AQ1

Summary
Name:(1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
Synonyms:PF-07284892
Formula:C21 H22 Cl N7 S
Formal charge:0
Formula weight:439.964 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
OpenEye OEToolkits2.0.7(1~{S})-1'-[6-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1nccc(Sc2cnc(nn2)N2CCC3(Cc4ccccc4C3N)CC2)c1Cl
InChIInChI1.06InChI=1S/C21H22ClN7S/c22-17-15(5-8-25-19(17)24)30-16-12-26-20(28-27-16)29-9-6-21(7-10-29)11-13-3-1-2-4-14(13)18(21)23/h1-5,8,12,18H,6-7,9-11,23H2,(H2,24,25)/t18-/m1/s1
InChIKeyInChI1.06HZCJDRDHKWNUGN-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385N[C@@H]1c2ccccc2CC13CCN(CC3)c4ncc(Sc5ccnc(N)c5Cl)nn4
SMILESCACTVS3.385N[CH]1c2ccccc2CC13CCN(CC3)c4ncc(Sc5ccnc(N)c5Cl)nn4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)CC3([C@@H]2N)CCN(CC3)c4ncc(nn4)Sc5ccnc(c5Cl)N
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CC3(C2N)CCN(CC3)c4ncc(nn4)Sc5ccnc(c5Cl)N

251801

PDB entries from 2026-04-08

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