4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole

C170H167F8N35O9S3 — CID 157463585

IUPAC4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
SMILESCN(C)c1nc2cc(N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2o1.CN(C)c1nc2cc(N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2s1.CN(C)c1nc2cc(N3CCc4c(c5cc(F)cnc5n4C)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4c(c5cc(F)cnc5n4C)C3)cc2o1.Cn1c2c(c3cc(F)cnc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3nc(N4CCOCC4)oc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3sc(N4CCOCC4)nc3c1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)oc2c1)CC3
InChIInChI=1S/C23H23FN4O2.C23H23FN4OS.C22H22FN5O2.C22H21FN4O2.C20H20FN5O.C20H20FN5S.C20H19FN4O.C20H19FN4S/c1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-22-19(13-16)25-23(30-22)27-8-10-29-11-9-27;1-26-19-4-5-28(13-17(19)16-10-14(23)12-24-21(16)26)15-2-3-20-18(11-15)25-22(30-20)27-6-8-29-9-7-27;23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-20-21(12-15)29-22(25-20)26-7-9-28-10-8-26;1-24(2)20-23-16-5-4-13(9-18(16)27-20)26-7-6-17-15(11-26)14-8-12(21)10-22-19(14)25(17)3;1-24(2)20-23-16-9-13(4-5-18(16)27-20)26-7-6-17-15(11-26)14-8-12(21)10-22-19(14)25(17)3;2*1-24(2)20-23-18-10-13(4-6-19(18)26-20)25-8-7-17-15(11-25)14-9-12(21)3-5-16(14)22-17/h2*2-5,12-13H,6-11,14H2,1H3;2-3,10-12H,4-9,13H2,1H3;1-4,11-12,24H,5-10,13H2;2*4-5,8-10H,6-7,11H2,1-3H3;2*3-6,9-10,22H,7-8,11H2,1-2H3
InChIKeyBUFFOLJDFCSKTO-UHFFFAOYSA-N
MW3092.63 g/mol
LogP31.34
Rot. Bonds16

About 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole

4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 157463585) has the molecular formula C170H167F8N35O9S3 and a molecular weight of 3092.63 g/mol. Its IUPAC name is 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
PubChem CID157463585
Molecular FormulaC170H167F8N35O9S3
Molecular Weight3092.63 g/mol
Exact Mass3090.27
IUPAC Name4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
SMILESCN(C)c1nc2cc(N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2o1.CN(C)c1nc2cc(N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2s1.CN(C)c1nc2cc(N3CCc4c(c5cc(F)cnc5n4C)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4c(c5cc(F)cnc5n4C)C3)cc2o1.Cn1c2c(c3cc(F)cnc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3nc(N4CCOCC4)oc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3sc(N4CCOCC4)nc3c1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)oc2c1)CC3
InChIInChI=1S/C23H23FN4O2.C23H23FN4OS.C22H22FN5O2.C22H21FN4O2.C20H20FN5O.C20H20FN5S.C20H19FN4O.C20H19FN4S/c1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-22-19(13-16)25-23(30-22)27-8-10-29-11-9-27;1-26-19-4-5-28(13-17(19)16-10-14(23)12-24-21(16)26)15-2-3-20-18(11-15)25-22(30-20)27-6-8-29-9-7-27;23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-20-21(12-15)29-22(25-20)26-7-9-28-10-8-26;1-24(2)20-23-16-5-4-13(9-18(16)27-20)26-7-6-17-15(11-26)14-8-12(21)10-22-19(14)25(17)3;1-24(2)20-23-16-9-13(4-5-18(16)27-20)26-7-6-17-15(11-26)14-8-12(21)10-22-19(14)25(17)3;2*1-24(2)20-23-18-10-13(4-6-19(18)26-20)25-8-7-17-15(11-25)14-9-12(21)3-5-16(14)22-17/h2*2-5,12-13H,6-11,14H2,1H3;2-3,10-12H,4-9,13H2,1H3;1-4,11-12,24H,5-10,13H2;2*4-5,8-10H,6-7,11H2,1-3H3;2*3-6,9-10,22H,7-8,11H2,1-2H3
InChIKeyBUFFOLJDFCSKTO-UHFFFAOYSA-N
XLogP31.34
TPSA368.27 Ų
H-Bond Donors3
H-Bond Acceptors44
Rotatable Bonds16
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003092.63
LogP ≤ 531.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole (CID 157463585) is 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole is CN(C)c1nc2cc(N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2o1.CN(C)c1nc2cc(N3CCc4[nH]c5ccc(F)cc5c4C3)ccc2s1.CN(C)c1nc2cc(N3CCc4c(c5cc(F)cnc5n4C)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4c(c5cc(F)cnc5n4C)C3)cc2o1.Cn1c2c(c3cc(F)cnc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3nc(N4CCOCC4)oc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3sc(N4CCOCC4)nc3c1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)oc2c1)CC3.
What is the InChIKey of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is BUFFOLJDFCSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2.C23H23FN4OS.C22H22FN5O2.C22H21FN4O2.C20H20FN5O.C20H20FN5S.C20H19FN4O.C20H19FN4S/c1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-22-19(13-16)25-23(30-22)27-8-10-29-11-9-27;1-26-19-4-5-28(13-17(19)16-10-14(23)12-24-21(16)26)15-2-3-20-18(11-15)25-22(30-20)27-6-8-29-9-7-27;23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-20-21(12-15)29-22(25-20)26-7-9-28-10-8-26;1-24(2)20-23-16-5-4-13(9-18(16)27-20)26-7-6-17-15(11-26)14-8-12(21)10-22-19(14)25(17)3;1-24(2)20-23-16-9-13(4-5-18(16)27-20)26-7-6-17-15(11-26)14-8-12(21)10-22-19(14)25(17)3;2*1-24(2)20-23-18-10-13(4-6-19(18)26-20)25-8-7-17-15(11-25)14-9-12(21)3-5-16(14)22-17/h2*2-5,12-13H,6-11,14H2,1H3;2-3,10-12H,4-9,13H2,1H3;1-4,11-12,24H,5-10,13H2;2*4-5,8-10H,6-7,11H2,1-3H3;2*3-6,9-10,22H,7-8,11H2,1-2H3.
What are the key properties of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 3092.63 g/mol, XLogP of 31.34, 16 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 157463585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).