[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate

C205H221F46N11O38 — CID 158162906

IUPAC[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)n(CC(C)C)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CC)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)n(CCCCC)c2c1.C=CC(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3ccccc3)n(C(C)C)c2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)n(CCCC(C)C)c2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)n(C(C)C)c2c1
InChIInChI=1S/C33H40F6N2O5.C33H39F6NO6.C32H38F6N2O5.C29H32F6N2O5.2C26H23F8NO6.C26H26F6N2O5/c1-6-24-12-14-26(27(7-2)40-24)29-20-23-11-13-25(21-28(23)41(29)17-9-10-22(4)5)43-18-15-31(34,35)45-33(38,39)46-32(36,37)16-19-44-30(42)8-3;1-6-8-9-10-23-11-14-26(29(19-23)42-5)28-20-24-12-13-25(21-27(24)40(28)7-2)43-17-15-31(34,35)45-33(38,39)46-32(36,37)16-18-44-30(41)22(3)4;1-7-23-10-12-25(26(8-2)39-23)28-17-22-9-11-24(18-27(22)40(28)19-20(3)4)42-15-13-30(33,34)44-32(37,38)45-31(35,36)14-16-43-29(41)21(5)6;1-4-5-6-14-37-24(22-8-7-13-36-19-22)17-21-9-10-23(18-25(21)37)39-15-11-27(30,31)41-29(34,35)42-28(32,33)12-16-40-26(38)20(2)3;1-4-35-20(17-8-6-5-7-9-17)12-18-10-11-19(13-21(18)35)37-14-23(27,28)39-25(31,32)41-26(33,34)40-24(29,30)15-38-22(36)16(2)3;1-4-22(36)38-15-24(29,30)40-26(33,34)41-25(31,32)39-23(27,28)14-37-19-11-10-18-12-20(17-8-6-5-7-9-17)35(16(2)3)21(18)13-19;1-4-23(35)37-13-10-25(29,30)39-26(31,32)38-24(27,28)9-12-36-20-8-7-18-14-21(19-6-5-11-33-16-19)34(17(2)3)22(18)15-20/h8,11-14,20-22H,3,6-7,9-10,15-19H2,1-2,4-5H3;11-14,19-21H,3,6-10,15-18H2,1-2,4-5H3;9-12,17-18,20H,5,7-8,13-16,19H2,1-4,6H3;7-10,13,17-19H,2,4-6,11-12,14-16H2,1,3H3;5-13H,2,4,14-15H2,1,3H3;4-13,16H,1,14-15H2,2-3H3;4-8,11,14-17H,1,9-10,12-13H2,2-3H3
InChIKeyFWMNJBKZUIPCHT-UHFFFAOYSA-N
MW4320.97 g/mol
LogP55.95
Rot. Bonds114

About [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate

[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate (PubChem CID 158162906) has the molecular formula C205H221F46N11O38 and a molecular weight of 4320.97 g/mol. Its IUPAC name is [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate
PubChem CID158162906
Molecular FormulaC205H221F46N11O38
Molecular Weight4320.97 g/mol
Exact Mass4318.50
IUPAC Name[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)n(CC(C)C)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CC)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)n(CCCCC)c2c1.C=CC(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3ccccc3)n(C(C)C)c2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)n(CCCC(C)C)c2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)n(C(C)C)c2c1
InChIInChI=1S/C33H40F6N2O5.C33H39F6NO6.C32H38F6N2O5.C29H32F6N2O5.2C26H23F8NO6.C26H26F6N2O5/c1-6-24-12-14-26(27(7-2)40-24)29-20-23-11-13-25(21-28(23)41(29)17-9-10-22(4)5)43-18-15-31(34,35)45-33(38,39)46-32(36,37)16-19-44-30(42)8-3;1-6-8-9-10-23-11-14-26(29(19-23)42-5)28-20-24-12-13-25(21-27(24)40(28)7-2)43-17-15-31(34,35)45-33(38,39)46-32(36,37)16-18-44-30(41)22(3)4;1-7-23-10-12-25(26(8-2)39-23)28-17-22-9-11-24(18-27(22)40(28)19-20(3)4)42-15-13-30(33,34)44-32(37,38)45-31(35,36)14-16-43-29(41)21(5)6;1-4-5-6-14-37-24(22-8-7-13-36-19-22)17-21-9-10-23(18-25(21)37)39-15-11-27(30,31)41-29(34,35)42-28(32,33)12-16-40-26(38)20(2)3;1-4-35-20(17-8-6-5-7-9-17)12-18-10-11-19(13-21(18)35)37-14-23(27,28)39-25(31,32)41-26(33,34)40-24(29,30)15-38-22(36)16(2)3;1-4-22(36)38-15-24(29,30)40-26(33,34)41-25(31,32)39-23(27,28)14-37-19-11-10-18-12-20(17-8-6-5-7-9-17)35(16(2)3)21(18)13-19;1-4-23(35)37-13-10-25(29,30)39-26(31,32)38-24(27,28)9-12-36-20-8-7-18-14-21(19-6-5-11-33-16-19)34(17(2)3)22(18)15-20/h8,11-14,20-22H,3,6-7,9-10,15-19H2,1-2,4-5H3;11-14,19-21H,3,6-10,15-18H2,1-2,4-5H3;9-12,17-18,20H,5,7-8,13-16,19H2,1-4,6H3;7-10,13,17-19H,2,4-6,11-12,14-16H2,1,3H3;5-13H,2,4,14-15H2,1,3H3;4-13,16H,1,14-15H2,2-3H3;4-8,11,14-17H,1,9-10,12-13H2,2-3H3
InChIKeyFWMNJBKZUIPCHT-UHFFFAOYSA-N
XLogP55.95
TPSA491.69 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds114
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004320.97
LogP ≤ 555.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate (CID 158162906) is [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)n(CC(C)C)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CC)c2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)n(CCCCC)c2c1.C=CC(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3ccccc3)n(C(C)C)c2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)n(CCCC(C)C)c2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)n(C(C)C)c2c1.
What is the InChIKey of [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate?
The InChIKey is FWMNJBKZUIPCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40F6N2O5.C33H39F6NO6.C32H38F6N2O5.C29H32F6N2O5.2C26H23F8NO6.C26H26F6N2O5/c1-6-24-12-14-26(27(7-2)40-24)29-20-23-11-13-25(21-28(23)41(29)17-9-10-22(4)5)43-18-15-31(34,35)45-33(38,39)46-32(36,37)16-19-44-30(42)8-3;1-6-8-9-10-23-11-14-26(29(19-23)42-5)28-20-24-12-13-25(21-27(24)40(28)7-2)43-17-15-31(34,35)45-33(38,39)46-32(36,37)16-18-44-30(41)22(3)4;1-7-23-10-12-25(26(8-2)39-23)28-17-22-9-11-24(18-27(22)40(28)19-20(3)4)42-15-13-30(33,34)44-32(37,38)45-31(35,36)14-16-43-29(41)21(5)6;1-4-5-6-14-37-24(22-8-7-13-36-19-22)17-21-9-10-23(18-25(21)37)39-15-11-27(30,31)41-29(34,35)42-28(32,33)12-16-40-26(38)20(2)3;1-4-35-20(17-8-6-5-7-9-17)12-18-10-11-19(13-21(18)35)37-14-23(27,28)39-25(31,32)41-26(33,34)40-24(29,30)15-38-22(36)16(2)3;1-4-22(36)38-15-24(29,30)40-26(33,34)41-25(31,32)39-23(27,28)14-37-19-11-10-18-12-20(17-8-6-5-7-9-17)35(16(2)3)21(18)13-19;1-4-23(35)37-13-10-25(29,30)39-26(31,32)38-24(27,28)9-12-36-20-8-7-18-14-21(19-6-5-11-33-16-19)34(17(2)3)22(18)15-20/h8,11-14,20-22H,3,6-7,9-10,15-19H2,1-2,4-5H3;11-14,19-21H,3,6-10,15-18H2,1-2,4-5H3;9-12,17-18,20H,5,7-8,13-16,19H2,1-4,6H3;7-10,13,17-19H,2,4-6,11-12,14-16H2,1,3H3;5-13H,2,4,14-15H2,1,3H3;4-13,16H,1,14-15H2,2-3H3;4-8,11,14-17H,1,9-10,12-13H2,2-3H3.
What are the key properties of [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate?
[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate has a molecular weight of 4320.97 g/mol, XLogP of 55.95, 114 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-(1-pentyl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[1,1-difluoro-2-(2-phenyl-1-propan-2-ylindol-6-yl)oxyethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] prop-2-enoate;[3-[[1,1-difluoro-3-(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[2-[[[2-(1-ethyl-2-phenylindol-6-yl)oxy-1,1-difluoroethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158162906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).