tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde

C175H229F15N24O33 — CID 167594312

IUPACtert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N1CC(C)(C)c2ccc(N(C(=O)[C@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)cc21.CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(N)cc21.CC(C)(C)OC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21.CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@@H]1C(=O)O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)CCc2cc([N+](=O)[O-])ccc21.CC1(C)CNc2cc(N(C(=O)[C@H]3C[C@@](C)(O)CN3)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)ccc21.CC1(C)CNc2cc(N(C(=O)[C@H]3C[C@@](C)(O)CN3C#N)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)ccc21.O=CC(F)(F)F.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C39H52F3N5O7.C30H35F3N6O3.C29H36F3N5O3.C15H20N2O4.C15H22N2O2.C11H19NO5.C11H13NO2.C10H18O5.C7H9F2N.C6H4FNO.C2HF3O/c1-35(2,3)53-33(50)45-21-37(7,8)27-11-10-26(17-28(27)45)47(32(49)29-18-38(9,52)22-46(29)34(51)54-36(4,5)6)30(23-16-24(40)20-43-19-23)31(48)44-25-12-14-39(41,42)15-13-25;1-28(2)15-36-23-11-21(4-5-22(23)28)39(27(41)24-12-29(3,42)16-38(24)17-34)25(18-10-19(31)14-35-13-18)26(40)37-20-6-8-30(32,33)9-7-20;1-27(2)15-34-22-11-20(4-5-21(22)27)37(26(39)23-12-28(3,40)16-35-23)24(17-10-18(30)14-33-13-17)25(38)36-19-6-8-29(31,32)9-7-19;1-14(2,3)21-13(18)16-9-15(4,5)11-7-6-10(17(19)20)8-12(11)16;1-14(2,3)19-13(18)17-9-15(4,5)11-7-6-10(16)8-12(11)17;1-10(2,3)17-9(15)12-6-11(4,16)5-7(12)8(13)14;1-11(2)6-5-8-7-9(12(13)14)3-4-10(8)11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-10-6-2-4-7(8,9)5-3-6;7-6-1-5(4-9)2-8-3-6;3-2(4,5)1-6/h10-11,16-17,19-20,25,29-30,52H,12-15,18,21-22H2,1-9H3,(H,44,48);4-5,10-11,13-14,20,24-25,36,42H,6-9,12,15-16H2,1-3H3,(H,37,40);4-5,10-11,13-14,19,23-24,34-35,40H,6-9,12,15-16H2,1-3H3,(H,36,38);6-8H,9H2,1-5H3;6-8H,9,16H2,1-5H3;7,16H,5-6H2,1-4H3,(H,13,14);3-4,7H,5-6H2,1-2H3;1-6H3;6H,2-5H2;1-4H;1H/t29-,30?,38-;24-,25?,29-;23-,24?,28-;;;7-,11-;;;;;/m111..1...../s1
InChIKeyIVRPGEXBCAVIFP-PVHNYBKFSA-N
MW3481.86 g/mol
LogP32.30
Rot. Bonds22

About tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde

tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 167594312) has the molecular formula C175H229F15N24O33 and a molecular weight of 3481.86 g/mol. Its IUPAC name is tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Nametert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
PubChem CID167594312
Molecular FormulaC175H229F15N24O33
Molecular Weight3481.86 g/mol
Exact Mass3479.67
IUPAC Nametert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N1CC(C)(C)c2ccc(N(C(=O)[C@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)cc21.CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(N)cc21.CC(C)(C)OC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21.CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@@H]1C(=O)O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)CCc2cc([N+](=O)[O-])ccc21.CC1(C)CNc2cc(N(C(=O)[C@H]3C[C@@](C)(O)CN3)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)ccc21.CC1(C)CNc2cc(N(C(=O)[C@H]3C[C@@](C)(O)CN3C#N)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)ccc21.O=CC(F)(F)F.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C39H52F3N5O7.C30H35F3N6O3.C29H36F3N5O3.C15H20N2O4.C15H22N2O2.C11H19NO5.C11H13NO2.C10H18O5.C7H9F2N.C6H4FNO.C2HF3O/c1-35(2,3)53-33(50)45-21-37(7,8)27-11-10-26(17-28(27)45)47(32(49)29-18-38(9,52)22-46(29)34(51)54-36(4,5)6)30(23-16-24(40)20-43-19-23)31(48)44-25-12-14-39(41,42)15-13-25;1-28(2)15-36-23-11-21(4-5-22(23)28)39(27(41)24-12-29(3,42)16-38(24)17-34)25(18-10-19(31)14-35-13-18)26(40)37-20-6-8-30(32,33)9-7-20;1-27(2)15-34-22-11-20(4-5-21(22)27)37(26(39)23-12-28(3,40)16-35-23)24(17-10-18(30)14-33-13-17)25(38)36-19-6-8-29(31,32)9-7-19;1-14(2,3)21-13(18)16-9-15(4,5)11-7-6-10(17(19)20)8-12(11)16;1-14(2,3)19-13(18)17-9-15(4,5)11-7-6-10(16)8-12(11)17;1-10(2,3)17-9(15)12-6-11(4,16)5-7(12)8(13)14;1-11(2)6-5-8-7-9(12(13)14)3-4-10(8)11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-10-6-2-4-7(8,9)5-3-6;7-6-1-5(4-9)2-8-3-6;3-2(4,5)1-6/h10-11,16-17,19-20,25,29-30,52H,12-15,18,21-22H2,1-9H3,(H,44,48);4-5,10-11,13-14,20,24-25,36,42H,6-9,12,15-16H2,1-3H3,(H,37,40);4-5,10-11,13-14,19,23-24,34-35,40H,6-9,12,15-16H2,1-3H3,(H,36,38);6-8H,9H2,1-5H3;6-8H,9,16H2,1-5H3;7,16H,5-6H2,1-4H3,(H,13,14);3-4,7H,5-6H2,1-2H3;1-6H3;6H,2-5H2;1-4H;1H/t29-,30?,38-;24-,25?,29-;23-,24?,28-;;;7-,11-;;;;;/m111..1...../s1
InChIKeyIVRPGEXBCAVIFP-PVHNYBKFSA-N
XLogP32.30
TPSA741.46 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds22
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003481.86
LogP ≤ 532.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The IUPAC name of tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde (CID 167594312) is tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(N(C(=O)[C@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)cc21.CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(N)cc21.CC(C)(C)OC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21.CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@@H]1C(=O)O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)CCc2cc([N+](=O)[O-])ccc21.CC1(C)CNc2cc(N(C(=O)[C@H]3C[C@@](C)(O)CN3)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)ccc21.CC1(C)CNc2cc(N(C(=O)[C@H]3C[C@@](C)(O)CN3C#N)C(C(=O)NC3CCC(F)(F)CC3)c3cncc(F)c3)ccc21.O=CC(F)(F)F.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The InChIKey is IVRPGEXBCAVIFP-PVHNYBKFSA-N. The full InChI is InChI=1S/C39H52F3N5O7.C30H35F3N6O3.C29H36F3N5O3.C15H20N2O4.C15H22N2O2.C11H19NO5.C11H13NO2.C10H18O5.C7H9F2N.C6H4FNO.C2HF3O/c1-35(2,3)53-33(50)45-21-37(7,8)27-11-10-26(17-28(27)45)47(32(49)29-18-38(9,52)22-46(29)34(51)54-36(4,5)6)30(23-16-24(40)20-43-19-23)31(48)44-25-12-14-39(41,42)15-13-25;1-28(2)15-36-23-11-21(4-5-22(23)28)39(27(41)24-12-29(3,42)16-38(24)17-34)25(18-10-19(31)14-35-13-18)26(40)37-20-6-8-30(32,33)9-7-20;1-27(2)15-34-22-11-20(4-5-21(22)27)37(26(39)23-12-28(3,40)16-35-23)24(17-10-18(30)14-33-13-17)25(38)36-19-6-8-29(31,32)9-7-19;1-14(2,3)21-13(18)16-9-15(4,5)11-7-6-10(17(19)20)8-12(11)16;1-14(2,3)19-13(18)17-9-15(4,5)11-7-6-10(16)8-12(11)17;1-10(2,3)17-9(15)12-6-11(4,16)5-7(12)8(13)14;1-11(2)6-5-8-7-9(12(13)14)3-4-10(8)11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-10-6-2-4-7(8,9)5-3-6;7-6-1-5(4-9)2-8-3-6;3-2(4,5)1-6/h10-11,16-17,19-20,25,29-30,52H,12-15,18,21-22H2,1-9H3,(H,44,48);4-5,10-11,13-14,20,24-25,36,42H,6-9,12,15-16H2,1-3H3,(H,37,40);4-5,10-11,13-14,19,23-24,34-35,40H,6-9,12,15-16H2,1-3H3,(H,36,38);6-8H,9H2,1-5H3;6-8H,9,16H2,1-5H3;7,16H,5-6H2,1-4H3,(H,13,14);3-4,7H,5-6H2,1-2H3;1-6H3;6H,2-5H2;1-4H;1H/t29-,30?,38-;24-,25?,29-;23-,24?,28-;;;7-,11-;;;;;/m111..1...../s1.
What are the key properties of tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 3481.86 g/mol, XLogP of 32.30, 22 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 6-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethyl-2H-indole-1-carboxylate;tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-hydroxy-4-methylpyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;3,3-dimethyl-6-nitro-1,2-dihydroindene;5-fluoropyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 167594312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).