bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C219H265F6N35O28Si2 — CID 161308630

IUPACbis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESC=C(OC1(C)CC1)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CC[C@H]1C(=O)N1CC(O[Si](C)(C)C(C)(C)C)CO1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CC[C@H]1C(=O)N1CC(O[Si](C)(C)C(C)(C)C)CO1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCCNC(=O)OC(C)(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCNC(=O)OC(C)(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NOC(C)(C)C
InChIInChI=1S/2C39H49FN4O5Si.C38H44FN7O4.C36H44FN7O5.C35H42FN7O5.C32H37FN6O4/c2*1-25-17-28(15-16-41-25)37-31-19-27(12-13-29(31)20-42-37)35(45)18-26-11-14-34(43(21-26)23-32-33(40)9-8-10-36(32)47-5)38(46)44-22-30(24-48-44)49-50(6,7)39(2,3)4;1-24-20-26(12-15-40-24)35-29-21-27(8-10-32(29)42-43-35)36(47)41-28-9-11-33(46(22-28)23-30-31(39)6-5-7-34(30)49-4)37(48)45-18-16-44(17-19-45)25(2)50-38(3)13-14-38;1-22-18-23(14-17-38-22)32-26-19-24(10-12-29(26)42-43-32)33(45)41-25-11-13-30(34(46)39-15-7-16-40-35(47)49-36(2,3)4)44(20-25)21-27-28(37)8-6-9-31(27)48-5;1-21-17-22(13-14-37-21)31-25-18-23(9-11-28(25)41-42-31)32(44)40-24-10-12-29(33(45)38-15-16-39-34(46)48-35(2,3)4)43(19-24)20-26-27(36)7-6-8-30(26)47-5;1-19-15-20(13-14-34-19)29-23-16-21(9-11-26(23)36-37-29)30(40)35-22-10-12-27(31(41)38-43-32(2,3)4)39(17-22)18-24-25(33)7-6-8-28(24)42-5/h2*8-10,12-13,15-17,19,26,30,34H,11,14,18,20-24H2,1-7H3;5-8,10,12,15,20-21,28,33H,2,9,11,13-14,16-19,22-23H2,1,3-4H3,(H,41,47)(H,42,43);6,8-10,12,14,17-19,25,30H,7,11,13,15-16,20-21H2,1-5H3,(H,39,46)(H,40,47)(H,41,45)(H,42,43);6-9,11,13-14,17-18,24,29H,10,12,15-16,19-20H2,1-5H3,(H,38,45)(H,39,46)(H,40,44)(H,41,42);6-9,11,13-16,22,27H,10,12,17-18H2,1-5H3,(H,35,40)(H,36,37)(H,38,41)/t2*26-,30?,34-;28-,33+;25-,30+;24-,29+;22-,27+/m001111/s1
InChIKeyVIPBLJHMFZTRPL-LHPLDSBPSA-N
MW4005.91 g/mol
LogP32.89
Rot. Bonds59

About bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 161308630) has the molecular formula C219H265F6N35O28Si2 and a molecular weight of 4005.91 g/mol. Its IUPAC name is bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Namebis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID161308630
Molecular FormulaC219H265F6N35O28Si2
Molecular Weight4005.91 g/mol
Exact Mass4002.98
IUPAC Namebis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESC=C(OC1(C)CC1)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CC[C@H]1C(=O)N1CC(O[Si](C)(C)C(C)(C)C)CO1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CC[C@H]1C(=O)N1CC(O[Si](C)(C)C(C)(C)C)CO1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCCNC(=O)OC(C)(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCNC(=O)OC(C)(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NOC(C)(C)C
InChIInChI=1S/2C39H49FN4O5Si.C38H44FN7O4.C36H44FN7O5.C35H42FN7O5.C32H37FN6O4/c2*1-25-17-28(15-16-41-25)37-31-19-27(12-13-29(31)20-42-37)35(45)18-26-11-14-34(43(21-26)23-32-33(40)9-8-10-36(32)47-5)38(46)44-22-30(24-48-44)49-50(6,7)39(2,3)4;1-24-20-26(12-15-40-24)35-29-21-27(8-10-32(29)42-43-35)36(47)41-28-9-11-33(46(22-28)23-30-31(39)6-5-7-34(30)49-4)37(48)45-18-16-44(17-19-45)25(2)50-38(3)13-14-38;1-22-18-23(14-17-38-22)32-26-19-24(10-12-29(26)42-43-32)33(45)41-25-11-13-30(34(46)39-15-7-16-40-35(47)49-36(2,3)4)44(20-25)21-27-28(37)8-6-9-31(27)48-5;1-21-17-22(13-14-37-21)31-25-18-23(9-11-28(25)41-42-31)32(44)40-24-10-12-29(33(45)38-15-16-39-34(46)48-35(2,3)4)43(19-24)20-26-27(36)7-6-8-30(26)47-5;1-19-15-20(13-14-34-19)29-23-16-21(9-11-26(23)36-37-29)30(40)35-22-10-12-27(31(41)38-43-32(2,3)4)39(17-22)18-24-25(33)7-6-8-28(24)42-5/h2*8-10,12-13,15-17,19,26,30,34H,11,14,18,20-24H2,1-7H3;5-8,10,12,15,20-21,28,33H,2,9,11,13-14,16-19,22-23H2,1,3-4H3,(H,41,47)(H,42,43);6,8-10,12,14,17-19,25,30H,7,11,13,15-16,20-21H2,1-5H3,(H,39,46)(H,40,47)(H,41,45)(H,42,43);6-9,11,13-14,17-18,24,29H,10,12,15-16,19-20H2,1-5H3,(H,38,45)(H,39,46)(H,40,44)(H,41,42);6-9,11,13-16,22,27H,10,12,17-18H2,1-5H3,(H,35,40)(H,36,37)(H,38,41)/t2*26-,30?,34-;28-,33+;25-,30+;24-,29+;22-,27+/m001111/s1
InChIKeyVIPBLJHMFZTRPL-LHPLDSBPSA-N
XLogP32.89
TPSA725.65 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds59
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004005.91
LogP ≤ 532.89
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Analyze bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652345
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-hydroxypiperidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123290123
2-[(3S,6S)-6-(3,3-difluoroazetidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 158981603
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652868
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 159761403
N-[(3R,6S)-6-[cyclopropyl(methyl)carbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591316
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591380
(2S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-N-methyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide
CID 159765408
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652372
1-[(2S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-2-oxoethyl]piperidin-2-yl]-4-phenylmethoxybutan-1-one
CID 149095975
N-[4-[2-(2,6-difluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;ethyl 1-benzyl-3-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]piperidine-4-carboxylate;2-[(3S)-1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-N-methyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[4-[2-(2-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 161192020
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 160508700

Frequently Asked Questions

What is the IUPAC name of bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 161308630) is bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is C=C(OC1(C)CC1)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CC[C@H]1C(=O)N1CC(O[Si](C)(C)C(C)(C)C)CO1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)CC[C@H]1C(=O)N1CC(O[Si](C)(C)C(C)(C)C)CO1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCCNC(=O)OC(C)(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCNC(=O)OC(C)(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NOC(C)(C)C.
What is the InChIKey of bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is VIPBLJHMFZTRPL-LHPLDSBPSA-N. The full InChI is InChI=1S/2C39H49FN4O5Si.C38H44FN7O4.C36H44FN7O5.C35H42FN7O5.C32H37FN6O4/c2*1-25-17-28(15-16-41-25)37-31-19-27(12-13-29(31)20-42-37)35(45)18-26-11-14-34(43(21-26)23-32-33(40)9-8-10-36(32)47-5)38(46)44-22-30(24-48-44)49-50(6,7)39(2,3)4;1-24-20-26(12-15-40-24)35-29-21-27(8-10-32(29)42-43-35)36(47)41-28-9-11-33(46(22-28)23-30-31(39)6-5-7-34(30)49-4)37(48)45-18-16-44(17-19-45)25(2)50-38(3)13-14-38;1-22-18-23(14-17-38-22)32-26-19-24(10-12-29(26)42-43-32)33(45)41-25-11-13-30(34(46)39-15-7-16-40-35(47)49-36(2,3)4)44(20-25)21-27-28(37)8-6-9-31(27)48-5;1-21-17-22(13-14-37-21)31-25-18-23(9-11-28(25)41-42-31)32(44)40-24-10-12-29(33(45)38-15-16-39-34(46)48-35(2,3)4)43(19-24)20-26-27(36)7-6-8-30(26)47-5;1-19-15-20(13-14-34-19)29-23-16-21(9-11-26(23)36-37-29)30(40)35-22-10-12-27(31(41)38-43-32(2,3)4)39(17-22)18-24-25(33)7-6-8-28(24)42-5/h2*8-10,12-13,15-17,19,26,30,34H,11,14,18,20-24H2,1-7H3;5-8,10,12,15,20-21,28,33H,2,9,11,13-14,16-19,22-23H2,1,3-4H3,(H,41,47)(H,42,43);6,8-10,12,14,17-19,25,30H,7,11,13,15-16,20-21H2,1-5H3,(H,39,46)(H,40,47)(H,41,45)(H,42,43);6-9,11,13-14,17-18,24,29H,10,12,15-16,19-20H2,1-5H3,(H,38,45)(H,39,46)(H,40,44)(H,41,42);6-9,11,13-16,22,27H,10,12,17-18H2,1-5H3,(H,35,40)(H,36,37)(H,38,41)/t2*26-,30?,34-;28-,33+;25-,30+;24-,29+;22-,27+/m001111/s1.
What are the key properties of bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 4005.91 g/mol, XLogP of 32.89, 59 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(3S,6S)-6-[4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidine-2-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone);tert-butyl N-[2-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[3-[[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]amino]propyl]carbamate;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-[1-(1-methylcyclopropyl)oxyethenyl]piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 161308630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).