2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

C159H130FN29O27S6 — CID 159090951

IUPAC2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2cnc(OC)nc2)c1.COc1cc(OCc2cccc(-c3ccc(C)cn3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3ccc(C)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3cnc(OC)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cncc(-c3ccc(C)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)n2)cc1
InChIInChI=1S/C28H23FN4O3S.C27H23N5O6S.C27H22N4O5S.2C26H21N5O4S.C25H20N6O5S/c1-16-7-8-22(30-13-16)19-6-4-5-18(9-19)15-35-24-10-20(34-3)11-25-21(24)12-26(36-25)23-14-33-28(31-23)37-27(32-33)17(2)29;1-33-18-6-15(5-16(7-18)17-11-28-25(35-3)29-12-17)14-37-22-8-19(34-2)9-23-20(22)10-24(38-23)21-13-32-26(30-21)39-27(31-32)36-4;1-32-18-9-7-16(8-10-18)21-6-4-5-17(28-21)15-35-23-11-19(33-2)12-24-20(23)13-25(36-24)22-14-31-26(29-22)37-27(30-31)34-3;1-15-4-5-17(12-28-15)18-6-16(10-27-11-18)14-34-22-7-19(32-2)8-23-20(22)9-24(35-23)21-13-31-25(29-21)36-26(30-31)33-3;1-15-7-8-16(12-27-15)20-6-4-5-17(28-20)14-34-22-9-18(32-2)10-23-19(22)11-24(35-23)21-13-31-25(29-21)36-26(30-31)33-3;1-32-16-7-20(35-13-15-5-4-6-18(28-15)14-10-26-23(33-2)27-11-14)17-9-22(36-21(17)8-16)19-12-31-24(29-19)37-25(30-31)34-3/h4-14,17H,15H2,1-3H3;5-13H,14H2,1-4H3;4-14H,15H2,1-3H3;2*4-13H,14H2,1-3H3;4-12H,13H2,1-3H3/t17-;;;;;/m0...../s1
InChIKeyKCAYGVUEFMYVOS-VCPBINOTSA-N
MW3090.36 g/mol
LogP34.13
Rot. Bonds46

About 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 159090951) has the molecular formula C159H130FN29O27S6 and a molecular weight of 3090.36 g/mol. Its IUPAC name is 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID159090951
Molecular FormulaC159H130FN29O27S6
Molecular Weight3090.36 g/mol
Exact Mass3087.80
IUPAC Name2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2cnc(OC)nc2)c1.COc1cc(OCc2cccc(-c3ccc(C)cn3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3ccc(C)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3cnc(OC)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cncc(-c3ccc(C)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)n2)cc1
InChIInChI=1S/C28H23FN4O3S.C27H23N5O6S.C27H22N4O5S.2C26H21N5O4S.C25H20N6O5S/c1-16-7-8-22(30-13-16)19-6-4-5-18(9-19)15-35-24-10-20(34-3)11-25-21(24)12-26(36-25)23-14-33-28(31-23)37-27(32-33)17(2)29;1-33-18-6-15(5-16(7-18)17-11-28-25(35-3)29-12-17)14-37-22-8-19(34-2)9-23-20(22)10-24(38-23)21-13-32-26(30-21)39-27(31-32)36-4;1-32-18-9-7-16(8-10-18)21-6-4-5-17(28-21)15-35-23-11-19(33-2)12-24-20(23)13-25(36-24)22-14-31-26(29-22)37-27(30-31)34-3;1-15-4-5-17(12-28-15)18-6-16(10-27-11-18)14-34-22-7-19(32-2)8-23-20(22)9-24(35-23)21-13-31-25(29-21)36-26(30-31)33-3;1-15-7-8-16(12-27-15)20-6-4-5-17(28-20)14-34-22-9-18(32-2)10-23-19(22)11-24(35-23)21-13-31-25(29-21)36-26(30-31)33-3;1-32-16-7-20(35-13-15-5-4-6-18(28-15)14-10-26-23(33-2)27-11-14)17-9-22(36-21(17)8-16)19-12-31-24(29-19)37-25(30-31)34-3/h4-14,17H,15H2,1-3H3;5-13H,14H2,1-4H3;4-14H,15H2,1-3H3;2*4-13H,14H2,1-3H3;4-12H,13H2,1-3H3/t17-;;;;;/m0...../s1
InChIKeyKCAYGVUEFMYVOS-VCPBINOTSA-N
XLogP34.13
TPSA595.60 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds46
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003090.36
LogP ≤ 534.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 159090951) is 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2cnc(OC)nc2)c1.COc1cc(OCc2cccc(-c3ccc(C)cn3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3ccc(C)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3cnc(OC)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cncc(-c3ccc(C)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)n2)cc1.
What is the InChIKey of 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KCAYGVUEFMYVOS-VCPBINOTSA-N. The full InChI is InChI=1S/C28H23FN4O3S.C27H23N5O6S.C27H22N4O5S.2C26H21N5O4S.C25H20N6O5S/c1-16-7-8-22(30-13-16)19-6-4-5-18(9-19)15-35-24-10-20(34-3)11-25-21(24)12-26(36-25)23-14-33-28(31-23)37-27(32-33)17(2)29;1-33-18-6-15(5-16(7-18)17-11-28-25(35-3)29-12-17)14-37-22-8-19(34-2)9-23-20(22)10-24(38-23)21-13-32-26(30-21)39-27(31-32)36-4;1-32-18-9-7-16(8-10-18)21-6-4-5-17(28-21)15-35-23-11-19(33-2)12-24-20(23)13-25(36-24)22-14-31-26(29-22)37-27(30-31)34-3;1-15-4-5-17(12-28-15)18-6-16(10-27-11-18)14-34-22-7-19(32-2)8-23-20(22)9-24(35-23)21-13-31-25(29-21)36-26(30-31)33-3;1-15-7-8-16(12-27-15)20-6-4-5-17(28-20)14-34-22-9-18(32-2)10-23-19(22)11-24(35-23)21-13-31-25(29-21)36-26(30-31)33-3;1-32-16-7-20(35-13-15-5-4-6-18(28-15)14-10-26-23(33-2)27-11-14)17-9-22(36-21(17)8-16)19-12-31-24(29-19)37-25(30-31)34-3/h4-14,17H,15H2,1-3H3;5-13H,14H2,1-4H3;4-14H,15H2,1-3H3;2*4-13H,14H2,1-3H3;4-12H,13H2,1-3H3/t17-;;;;;/m0...../s1.
What are the key properties of 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 3090.36 g/mol, XLogP of 34.13, 46 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 159090951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).