4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C219H173F3N32O18 — CID 161497156

IUPAC4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(F)cc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4[nH]ccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc(F)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4[nH]ncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3F)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccncc3)c12
InChIInChI=1S/2C27H21N3O2.2C25H20N4O2.C24H19N5O2.3C23H18FN3O2.C22H18N4O2/c1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)11-12-28-27(26)19-10-6-8-17-7-4-5-9-18(17)19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)10-11-28-27(26)19-9-8-17-6-4-5-7-18(17)12-19;1-13-23(14(2)31-29-13)18-11-21-17(12-22(18)30-3)24-20(28-21)7-9-27-25(24)16-4-5-19-15(10-16)6-8-26-19;1-13-23(14(2)31-29-13)17-10-21-16(11-22(17)30-3)24-20(28-21)8-9-26-25(24)18-12-27-19-7-5-4-6-15(18)19;1-12-22(13(2)31-29-12)16-9-20-15(10-21(16)30-3)23-19(27-20)7-8-25-24(23)14-5-4-6-18-17(14)11-26-28-18;1-12-21(13(2)29-27-12)17-10-19-16(11-20(17)28-3)22-18(26-19)8-9-25-23(22)14-4-6-15(24)7-5-14;1-12-21(13(2)29-27-12)17-10-19-16(11-20(17)28-3)22-18(26-19)7-8-25-23(22)14-5-4-6-15(24)9-14;1-12-21(13(2)29-27-12)16-10-19-15(11-20(16)28-3)22-18(26-19)8-9-25-23(22)14-6-4-5-7-17(14)24;1-12-20(13(2)28-26-12)16-10-18-15(11-19(16)27-3)21-17(25-18)6-9-24-22(21)14-4-7-23-8-5-14/h2*4-14,29H,1-3H3;4-12,26,28H,1-3H3;4-12,27-28H,1-3H3;4-11,27H,1-3H3,(H,26,28);3*4-11,26H,1-3H3;4-11,25H,1-3H3
InChIKeyWGJBBTGIMWMVSC-UHFFFAOYSA-N
MW3597.99 g/mol
LogP53.93
Rot. Bonds27

About 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 161497156) has the molecular formula C219H173F3N32O18 and a molecular weight of 3597.99 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID161497156
Molecular FormulaC219H173F3N32O18
Molecular Weight3597.99 g/mol
Exact Mass3595.36
IUPAC Name4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(F)cc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4[nH]ccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc(F)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4[nH]ncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3F)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccncc3)c12
InChIInChI=1S/2C27H21N3O2.2C25H20N4O2.C24H19N5O2.3C23H18FN3O2.C22H18N4O2/c1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)11-12-28-27(26)19-10-6-8-17-7-4-5-9-18(17)19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)10-11-28-27(26)19-9-8-17-6-4-5-7-18(17)12-19;1-13-23(14(2)31-29-13)18-11-21-17(12-22(18)30-3)24-20(28-21)7-9-27-25(24)16-4-5-19-15(10-16)6-8-26-19;1-13-23(14(2)31-29-13)17-10-21-16(11-22(17)30-3)24-20(28-21)8-9-26-25(24)18-12-27-19-7-5-4-6-15(18)19;1-12-22(13(2)31-29-12)16-9-20-15(10-21(16)30-3)23-19(27-20)7-8-25-24(23)14-5-4-6-18-17(14)11-26-28-18;1-12-21(13(2)29-27-12)17-10-19-16(11-20(17)28-3)22-18(26-19)8-9-25-23(22)14-4-6-15(24)7-5-14;1-12-21(13(2)29-27-12)17-10-19-16(11-20(17)28-3)22-18(26-19)7-8-25-23(22)14-5-4-6-15(24)9-14;1-12-21(13(2)29-27-12)16-10-19-15(11-20(16)28-3)22-18(26-19)8-9-25-23(22)14-6-4-5-7-17(14)24;1-12-20(13(2)28-26-12)16-10-18-15(11-19(16)27-3)21-17(25-18)6-9-24-22(21)14-4-7-23-8-5-14/h2*4-14,29H,1-3H3;4-12,26,28H,1-3H3;4-12,27-28H,1-3H3;4-11,27H,1-3H3,(H,26,28);3*4-11,26H,1-3H3;4-11,25H,1-3H3
InChIKeyWGJBBTGIMWMVSC-UHFFFAOYSA-N
XLogP53.93
TPSA648.61 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms272
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003597.99
LogP ≤ 553.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 161497156) is 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(F)cc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4[nH]ccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc(F)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4[nH]ncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3F)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccncc3)c12.
What is the InChIKey of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is WGJBBTGIMWMVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N3O2.2C25H20N4O2.C24H19N5O2.3C23H18FN3O2.C22H18N4O2/c1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)11-12-28-27(26)19-10-6-8-17-7-4-5-9-18(17)19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)10-11-28-27(26)19-9-8-17-6-4-5-7-18(17)12-19;1-13-23(14(2)31-29-13)18-11-21-17(12-22(18)30-3)24-20(28-21)7-9-27-25(24)16-4-5-19-15(10-16)6-8-26-19;1-13-23(14(2)31-29-13)17-10-21-16(11-22(17)30-3)24-20(28-21)8-9-26-25(24)18-12-27-19-7-5-4-6-15(18)19;1-12-22(13(2)31-29-12)16-9-20-15(10-21(16)30-3)23-19(27-20)7-8-25-24(23)14-5-4-6-18-17(14)11-26-28-18;1-12-21(13(2)29-27-12)17-10-19-16(11-20(17)28-3)22-18(26-19)8-9-25-23(22)14-4-6-15(24)7-5-14;1-12-21(13(2)29-27-12)17-10-19-16(11-20(17)28-3)22-18(26-19)7-8-25-23(22)14-5-4-6-15(24)9-14;1-12-21(13(2)29-27-12)16-10-19-15(11-20(16)28-3)22-18(26-19)8-9-25-23(22)14-6-4-5-7-17(14)24;1-12-20(13(2)28-26-12)16-10-18-15(11-19(16)27-3)21-17(25-18)6-9-24-22(21)14-4-7-23-8-5-14/h2*4-14,29H,1-3H3;4-12,26,28H,1-3H3;4-12,27-28H,1-3H3;4-11,27H,1-3H3,(H,26,28);3*4-11,26H,1-3H3;4-11,25H,1-3H3.
What are the key properties of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 3597.99 g/mol, XLogP of 53.93, 27 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 161497156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).