N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide

C170H202Cl5F3N42O6S10 — CID 165101148

IUPACN-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
SMILESCc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ncnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1-c1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2cnnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3NS(=O)C(C)(C)C)CC2)n2cnnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C30H35ClN6OS2.C30H33F3N6OS.C29H34ClN7OS2.C29H34ClN7OS.C28H33ClN8OS2.C24H33ClN8OS2/c1-19-17-23(37-16-13-34-28(37)25(19)39-22-9-12-33-27(32)24(22)31)36-14-10-30(11-15-36)18-20-7-5-6-8-21(20)26(30)35-40(38)29(2,3)4;1-19-23(22-10-7-13-34-25(22)30(31,32)33)26-35-14-17-39(26)27(36-19)38-15-11-29(12-16-38)18-20-8-5-6-9-21(20)24(29)37-41(40)28(2,3)4;1-18-15-22(37-27(33-17-34-37)24(18)39-21-9-12-32-26(31)23(21)30)36-13-10-29(11-14-36)16-19-7-5-6-8-20(19)25(29)35-40(38)28(2,3)4;1-18-22(21-9-12-32-25(31)23(21)30)26-33-13-16-37(26)27(34-18)36-14-10-29(11-15-36)17-19-7-5-6-8-20(19)24(29)35-39(38)28(2,3)4;1-17-22(39-20-9-12-31-24(30)21(20)29)25-34-32-16-37(25)26(33-17)36-13-10-28(11-14-36)15-18-7-5-6-8-19(18)23(28)35-40(38)27(2,3)4;1-15-19(35-16-7-11-27-20(26)18(16)25)21-30-28-14-33(21)22(29-15)32-12-9-24(10-13-32)8-5-6-17(24)31-36(34)23(2,3)4/h5-9,12-13,16-17,26,35H,10-11,14-15,18H2,1-4H3,(H2,32,33);5-10,13-14,17,24,37H,11-12,15-16,18H2,1-4H3;5-9,12,15,17,25,35H,10-11,13-14,16H2,1-4H3,(H2,31,32);5-9,12-13,16,24,35H,10-11,14-15,17H2,1-4H3,(H2,31,32);5-9,12,16,23,35H,10-11,13-15H2,1-4H3,(H2,30,31);7,11,14,17,31H,5-6,8-10,12-13H2,1-4H3,(H2,26,27)/t26-,40?;24-,41?;25-,40?;24-,39?;23-,40?;17-,36?/m111111/s1
InChIKeyYINASFGNGMTGFY-ZGKQDCSSSA-N
MW3484.70 g/mol
LogP33.00
Rot. Bonds28

About N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide

N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide (PubChem CID 165101148) has the molecular formula C170H202Cl5F3N42O6S10 and a molecular weight of 3484.70 g/mol. Its IUPAC name is N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
PubChem CID165101148
Molecular FormulaC170H202Cl5F3N42O6S10
Molecular Weight3484.70 g/mol
Exact Mass3479.24
IUPAC NameN-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
SMILESCc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ncnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1-c1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2cnnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3NS(=O)C(C)(C)C)CC2)n2cnnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C30H35ClN6OS2.C30H33F3N6OS.C29H34ClN7OS2.C29H34ClN7OS.C28H33ClN8OS2.C24H33ClN8OS2/c1-19-17-23(37-16-13-34-28(37)25(19)39-22-9-12-33-27(32)24(22)31)36-14-10-30(11-15-36)18-20-7-5-6-8-21(20)26(30)35-40(38)29(2,3)4;1-19-23(22-10-7-13-34-25(22)30(31,32)33)26-35-14-17-39(26)27(36-19)38-15-11-29(12-16-38)18-20-8-5-6-9-21(20)24(29)37-41(40)28(2,3)4;1-18-15-22(37-27(33-17-34-37)24(18)39-21-9-12-32-26(31)23(21)30)36-13-10-29(11-14-36)16-19-7-5-6-8-20(19)25(29)35-40(38)28(2,3)4;1-18-22(21-9-12-32-25(31)23(21)30)26-33-13-16-37(26)27(34-18)36-14-10-29(11-15-36)17-19-7-5-6-8-20(19)24(29)35-39(38)28(2,3)4;1-17-22(39-20-9-12-31-24(30)21(20)29)25-34-32-16-37(25)26(33-17)36-13-10-28(11-14-36)15-18-7-5-6-8-19(18)23(28)35-40(38)27(2,3)4;1-15-19(35-16-7-11-27-20(26)18(16)25)21-30-28-14-33(21)22(29-15)32-12-9-24(10-13-32)8-5-6-17(24)31-36(34)23(2,3)4/h5-9,12-13,16-17,26,35H,10-11,14-15,18H2,1-4H3,(H2,32,33);5-10,13-14,17,24,37H,11-12,15-16,18H2,1-4H3;5-9,12,15,17,25,35H,10-11,13-14,16H2,1-4H3,(H2,31,32);5-9,12-13,16,24,35H,10-11,14-15,17H2,1-4H3,(H2,31,32);5-9,12,16,23,35H,10-11,13-15H2,1-4H3,(H2,30,31);7,11,14,17,31H,5-6,8-10,12-13H2,1-4H3,(H2,26,27)/t26-,40?;24-,41?;25-,40?;24-,39?;23-,40?;17-,36?/m111111/s1
InChIKeyYINASFGNGMTGFY-ZGKQDCSSSA-N
XLogP33.00
TPSA595.51 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds28
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003484.70
LogP ≤ 533.00
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Analyze N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
The IUPAC name of N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide (CID 165101148) is N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide is Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1Sc1ccnc(N)c1Cl.Cc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ncnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1-c1cccnc1C(F)(F)F.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2ccnc2c1-c1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3NS(=O)C(C)(C)C)n2cnnc2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3NS(=O)C(C)(C)C)CC2)n2cnnc2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
The InChIKey is YINASFGNGMTGFY-ZGKQDCSSSA-N. The full InChI is InChI=1S/C30H35ClN6OS2.C30H33F3N6OS.C29H34ClN7OS2.C29H34ClN7OS.C28H33ClN8OS2.C24H33ClN8OS2/c1-19-17-23(37-16-13-34-28(37)25(19)39-22-9-12-33-27(32)24(22)31)36-14-10-30(11-15-36)18-20-7-5-6-8-21(20)26(30)35-40(38)29(2,3)4;1-19-23(22-10-7-13-34-25(22)30(31,32)33)26-35-14-17-39(26)27(36-19)38-15-11-29(12-16-38)18-20-8-5-6-9-21(20)24(29)37-41(40)28(2,3)4;1-18-15-22(37-27(33-17-34-37)24(18)39-21-9-12-32-26(31)23(21)30)36-13-10-29(11-14-36)16-19-7-5-6-8-20(19)25(29)35-40(38)28(2,3)4;1-18-22(21-9-12-32-25(31)23(21)30)26-33-13-16-37(26)27(34-18)36-14-10-29(11-15-36)17-19-7-5-6-8-20(19)24(29)35-39(38)28(2,3)4;1-17-22(39-20-9-12-31-24(30)21(20)29)25-34-32-16-37(25)26(33-17)36-13-10-28(11-14-36)15-18-7-5-6-8-19(18)23(28)35-40(38)27(2,3)4;1-15-19(35-16-7-11-27-20(26)18(16)25)21-30-28-14-33(21)22(29-15)32-12-9-24(10-13-32)8-5-6-17(24)31-36(34)23(2,3)4/h5-9,12-13,16-17,26,35H,10-11,14-15,18H2,1-4H3,(H2,32,33);5-10,13-14,17,24,37H,11-12,15-16,18H2,1-4H3;5-9,12,15,17,25,35H,10-11,13-14,16H2,1-4H3,(H2,31,32);5-9,12-13,16,24,35H,10-11,14-15,17H2,1-4H3,(H2,31,32);5-9,12,16,23,35H,10-11,13-15H2,1-4H3,(H2,30,31);7,11,14,17,31H,5-6,8-10,12-13H2,1-4H3,(H2,26,27)/t26-,40?;24-,41?;25-,40?;24-,39?;23-,40?;17-,36?/m111111/s1.
What are the key properties of N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide?
N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide has a molecular weight of 3484.70 g/mol, XLogP of 33.00, 28 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[8-(2-amino-3-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;2-methyl-N-[(1S)-1'-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 165101148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).