[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone

C139H194F3N13O16 — CID 165052197

IUPAC[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
SMILESCCOC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C(C)C)(C(C)C)C1.COc1cccc2[nH]c(C(=O)N3CC(C4CCCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4cccnc4)CC3(C(C)C)C(C)C)cc12
InChIInChI=1S/C26H38N2O2.C25H31N3O2.C24H36N2O3.C22H32N2O3.C21H27F3N2O3.C21H30N2O3/c1-17(2)26(18(3)4)15-20(19-10-7-6-8-11-19)16-28(26)25(29)23-14-21-22(27-23)12-9-13-24(21)30-5;1-16(2)25(17(3)4)13-19(18-8-7-11-26-14-18)15-28(25)24(29)22-12-20-21(27-22)9-6-10-23(20)30-5;1-15(2)24(16(3)4)13-17(29-23(5,6)7)14-26(24)22(27)20-12-18-19(25-20)10-9-11-21(18)28-8;1-7-27-16-12-22(14(2)3,15(4)5)24(13-16)21(25)19-11-17-18(23-19)9-8-10-20(17)26-6;1-12(2)20(13(3)4)10-14(29-21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5;1-13(2)21(14(3)4)11-15(25-5)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)26-6/h9,12-14,17-20,27H,6-8,10-11,15-16H2,1-5H3;6-12,14,16-17,19,27H,13,15H2,1-5H3;9-12,15-17,25H,13-14H2,1-8H3;8-11,14-16,23H,7,12-13H2,1-6H3;6-9,12-14,25H,10-11H2,1-5H3;7-10,13-15,22H,11-12H2,1-6H3
InChIKeyPVLISHCBVRIUNY-UHFFFAOYSA-N
MW2360.15 g/mol
LogP30.32
Rot. Bonds31

About [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone

[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 165052197) has the molecular formula C139H194F3N13O16 and a molecular weight of 2360.15 g/mol. Its IUPAC name is [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID165052197
Molecular FormulaC139H194F3N13O16
Molecular Weight2360.15 g/mol
Exact Mass2358.47
IUPAC Name[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
SMILESCCOC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C(C)C)(C(C)C)C1.COc1cccc2[nH]c(C(=O)N3CC(C4CCCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4cccnc4)CC3(C(C)C)C(C)C)cc12
InChIInChI=1S/C26H38N2O2.C25H31N3O2.C24H36N2O3.C22H32N2O3.C21H27F3N2O3.C21H30N2O3/c1-17(2)26(18(3)4)15-20(19-10-7-6-8-11-19)16-28(26)25(29)23-14-21-22(27-23)12-9-13-24(21)30-5;1-16(2)25(17(3)4)13-19(18-8-7-11-26-14-18)15-28(25)24(29)22-12-20-21(27-22)9-6-10-23(20)30-5;1-15(2)24(16(3)4)13-17(29-23(5,6)7)14-26(24)22(27)20-12-18-19(25-20)10-9-11-21(18)28-8;1-7-27-16-12-22(14(2)3,15(4)5)24(13-16)21(25)19-11-17-18(23-19)9-8-10-20(17)26-6;1-12(2)20(13(3)4)10-14(29-21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5;1-13(2)21(14(3)4)11-15(25-5)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)26-6/h9,12-14,17-20,27H,6-8,10-11,15-16H2,1-5H3;6-12,14,16-17,19,27H,13,15H2,1-5H3;9-12,15-17,25H,13-14H2,1-8H3;8-11,14-16,23H,7,12-13H2,1-6H3;6-9,12-14,25H,10-11H2,1-5H3;7-10,13-15,22H,11-12H2,1-6H3
InChIKeyPVLISHCBVRIUNY-UHFFFAOYSA-N
XLogP30.32
TPSA321.79 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.15
LogP ≤ 530.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1S,4S,7S,10R,26S,29S,35S,38S,42Z,46S)-4,7-bis[(5-fluoro-1H-indol-3-yl)methyl]-35-[(4-methoxyphenyl)methyl]-10,29-dimethyl-3,6,9,12,18,28,34,37,48-nonaoxo-45-oxa-2,5,8,11,19,27,33,36,49-nonazapentacyclo[36.9.2.221,24.12,46.029,33]dopentaconta-21(52),22,24(51),42-tetraene-26-carboxamide
CID 160497361
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,38-nonaoxo-4,10,13,16,22,25,28,31,37-nonazatetracyclo[37.2.2.06,10.018,22]tritetraconta-1(42),39(43),40-triene-3-carboxamide
CID 166611960
(14S,17S,23S,26S,29S,32S,35S,38S,41R)-32-fluoro-35,38-bis[(5-fluoro-1H-indol-3-yl)methyl]-26-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-17,41-dimethyl-16,22,25,28,34,37,40,43-octaoxo-7,15,21,24,27,33,36,39,42-nonazahexacyclo[42.2.2.22,5.29,12.017,21.029,33]dopentaconta-1(47),2(52),3,5(51),9,11,44(48),45,49-nonaene-14-carboxamide
CID 158274436
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-27-[(5-fluoro-1H-indol-3-yl)methyl]-24-[(6-fluoro-1H-indol-3-yl)methyl]-15-[(1S)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,39-nonaoxo-4,10,13,16,22,25,28,31,38-nonazatetracyclo[38.2.2.06,10.018,22]tetratetraconta-1(43),40(44),41-triene-3-carboxamide
CID 166611810
(10S,13S,19S,22R,25S,27S,31S,34S,37R)-27-fluoro-31,34-bis[(5-fluoro-1H-indol-3-yl)methyl]-22-[(1S)-1-hydroxyethyl]-19-[(4-methoxyphenyl)methyl]-13,37-dimethyl-4,12,18,21,24,30,33,36,39-nonaoxo-3,11,17,20,23,29,32,35,38-nonazapentacyclo[39.2.2.25,8.013,17.025,29]heptatetraconta-1(44),5,7,41(45),42,46-hexaene-10-carboxamide
CID 166611963
N-ethyl-5-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide;[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 69483685
bis(1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenylmethyl]indole-2-carboxamide);bis(2,2,2-trifluoroacetate)
CID 139902844
bis(1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide);bis(2,2,2-trifluoroacetate)
CID 139902859
[2-Amino-1-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-oxoethyl]-trimethylazanium;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,2-difluoroacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-3-methylbutanamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-3,3,3-trifluoropropanamide;chloride
CID 157215042
1-benzofuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[5-(1,1-difluoroethyl)furan-2-yl]-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3,5-dimethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-ethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;5-[1-(1H-indol-3-yl)ethenyl]-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(5-methylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 158064950
[2-Amino-1-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-oxoethyl]-trimethylazanium;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,2-difluoroacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-3-methylbutanamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-3,3,3-trifluoropropanamide;chloride
CID 158564831
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158714512

Frequently Asked Questions

What is the IUPAC name of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone (CID 165052197) is [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone is CCOC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C(C)C)(C(C)C)C1.COc1cccc2[nH]c(C(=O)N3CC(C4CCCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4cccnc4)CC3(C(C)C)C(C)C)cc12.
What is the InChIKey of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PVLISHCBVRIUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2.C25H31N3O2.C24H36N2O3.C22H32N2O3.C21H27F3N2O3.C21H30N2O3/c1-17(2)26(18(3)4)15-20(19-10-7-6-8-11-19)16-28(26)25(29)23-14-21-22(27-23)12-9-13-24(21)30-5;1-16(2)25(17(3)4)13-19(18-8-7-11-26-14-18)15-28(25)24(29)22-12-20-21(27-22)9-6-10-23(20)30-5;1-15(2)24(16(3)4)13-17(29-23(5,6)7)14-26(24)22(27)20-12-18-19(25-20)10-9-11-21(18)28-8;1-7-27-16-12-22(14(2)3,15(4)5)24(13-16)21(25)19-11-17-18(23-19)9-8-10-20(17)26-6;1-12(2)20(13(3)4)10-14(29-21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5;1-13(2)21(14(3)4)11-15(25-5)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)26-6/h9,12-14,17-20,27H,6-8,10-11,15-16H2,1-5H3;6-12,14,16-17,19,27H,13,15H2,1-5H3;9-12,15-17,25H,13-14H2,1-8H3;8-11,14-16,23H,7,12-13H2,1-6H3;6-9,12-14,25H,10-11H2,1-5H3;7-10,13-15,22H,11-12H2,1-6H3.
What are the key properties of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 2360.15 g/mol, XLogP of 30.32, 31 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 165052197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).