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

C135H136F5N25O10S — CID 157304878

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

N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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 (PubChem CID 157304878) has the molecular formula C135H136F5N25O10S and a molecular weight of 2395.79 g/mol. Its IUPAC name is N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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.

Molecular Properties

• Compound Name: N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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
• PubChem CID: 157304878
• Molecular Formula: C135H136F5N25O10S
• Molecular Weight: 2395.79 g/mol
• Exact Mass: 2394.05
• IUPAC Name: N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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
• SMILES: Cc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N(C)C)oc2c1)CC3.Cn1c2c(c3cc(F)ccc31)CN(c1ccc3nc(N4CCOCC4)oc3c1)CC2.Cn1c2c(c3cc(F)ccc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.Cn1c2c(c3cc(F)cnc31)CN(c1ccc3nc(N4CCOCC4)oc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3nc(N4CCOCC4)sc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2
• InChI: InChI=1S/3C23H23FN4O2.C23H23FN4OS.C22H22FN5O2.C21H22N4O/c1-26-20-5-2-15(24)12-17(20)18-14-28(7-6-21(18)26)16-3-4-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-26-20-4-2-15(24)12-17(20)18-14-28(7-6-21(18)26)16-3-5-22-19(13-16)25-23(30-22)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;1-26-20-6-7-28(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;1-26-19-4-5-28(13-17(19)16-10-14(23)12-24-21(16)26)15-2-3-18-20(11-15)30-22(25-18)27-6-8-29-9-7-27;1-13-4-6-17-15(10-13)16-12-25(9-8-18(16)22-17)14-5-7-19-20(11-14)26-21(23-19)24(2)3/h4*2-5,12-13H,6-11,14H2,1H3;2-3,10-12H,4-9,13H2,1H3;4-7,10-11,22H,8-9,12H2,1-3H3
• InChIKey: BCINDRUSZFUILG-UHFFFAOYSA-N
• XLogP: 23.40
• TPSA: 281.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.79
LogP ≤ 5	23.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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?

The IUPAC name of N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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 (CID 157304878) is N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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.

What is the SMILES notation for N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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?

The canonical SMILES for N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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 is Cc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N(C)C)oc2c1)CC3.Cn1c2c(c3cc(F)ccc31)CN(c1ccc3nc(N4CCOCC4)oc3c1)CC2.Cn1c2c(c3cc(F)ccc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.Cn1c2c(c3cc(F)cnc31)CN(c1ccc3nc(N4CCOCC4)oc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3nc(N4CCOCC4)sc3c1)CC2.Cn1c2c(c3ccc(F)cc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.

What is the InChIKey of N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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?

The InChIKey is BCINDRUSZFUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H23FN4O2.C23H23FN4OS.C22H22FN5O2.C21H22N4O/c1-26-20-5-2-15(24)12-17(20)18-14-28(7-6-21(18)26)16-3-4-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-26-20-4-2-15(24)12-17(20)18-14-28(7-6-21(18)26)16-3-5-22-19(13-16)25-23(30-22)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;1-26-20-6-7-28(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;1-26-19-4-5-28(13-17(19)16-10-14(23)12-24-21(16)26)15-2-3-18-20(11-15)30-22(25-18)27-6-8-29-9-7-27;1-13-4-6-17-15(10-13)16-12-25(9-8-18(16)22-17)14-5-7-19-20(11-14)26-21(23-19)24(2)3/h4*2-5,12-13H,6-11,14H2,1H3;2-3,10-12H,4-9,13H2,1H3;4-7,10-11,22H,8-9,12H2,1-3H3.

What are the key properties of N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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?

N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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 has a molecular weight of 2395.79 g/mol, XLogP of 23.40, 12 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzoxazol-2-amine;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(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 is sourced from PubChem (CID 157304878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).