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

C153H159F3N30O12 — CID 158609333

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

5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole (PubChem CID 158609333) has the molecular formula C153H159F3N30O12 and a molecular weight of 2667.15 g/mol. Its IUPAC name is 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole
• PubChem CID: 158609333
• Molecular Formula: C153H159F3N30O12
• Molecular Weight: 2667.15 g/mol
• Exact Mass: 2665.27
• IUPAC Name: 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole
• SMILES: Cn1c2c(c3cc(F)ccc31)CCN(c1ccc3oc(N4CCOCC4)nc3c1)C2.Cn1c2c(c3cc(F)cnc31)CCN(c1ccc(N3CCOCC3)cn1)C2.Cn1c2c(c3ccccc31)CCN(c1ccc3oc(N4CCOCC4)nc3c1)C2.Cn1c2c(c3ccccc31)CCN(c1nc3cc(N4CCOCC4)ccc3o1)C2.Cn1c2c(c3cccnc31)CCN(c1ccc(N3CCOCC3)nc1)C2.Fc1ccc2c3c([nH]c2c1)CN(c1ccc2oc(N4CCOCC4)nc2c1)CC3.c1ccc2c3c([nH]c2c1)CN(c1nc2ccc(N4CCOCC4)cc2o1)CC3
• InChI: InChI=1S/C23H23FN4O2.2C23H24N4O2.C22H21FN4O2.C22H22N4O2.C20H22FN5O.C20H23N5O/c1-26-20-4-2-15(24)12-18(20)17-6-7-28(14-21(17)26)16-3-5-22-19(13-16)25-23(30-22)27-8-10-29-11-9-27;1-25-20-5-3-2-4-17(20)18-8-9-27(15-21(18)25)16-6-7-22-19(14-16)24-23(29-22)26-10-12-28-13-11-26;1-25-20-5-3-2-4-17(20)18-8-9-27(15-21(18)25)23-24-19-14-16(6-7-22(19)29-23)26-10-12-28-13-11-26;23-14-1-3-16-17-5-6-27(13-20(17)24-18(16)11-14)15-2-4-21-19(12-15)25-22(29-21)26-7-9-28-10-8-26;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)22-24-19-6-5-15(13-21(19)28-22)25-9-11-27-12-10-25;1-24-18-13-26(5-4-16(18)17-10-14(21)11-23-20(17)24)19-3-2-15(12-22-19)25-6-8-27-9-7-25;1-23-18-14-25(8-6-16(18)17-3-2-7-21-20(17)23)15-4-5-19(22-13-15)24-9-11-26-12-10-24/h2-5,12-13H,6-11,14H2,1H3;2*2-7,14H,8-13,15H2,1H3;1-4,11-12,24H,5-10,13H2;1-6,13,23H,7-12,14H2;2-3,10-12H,4-9,13H2,1H3;2-5,7,13H,6,8-12,14H2,1H3
• InChIKey: HWQDCZLDWQQCKN-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 347.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 14
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2667.15
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole?

The IUPAC name of 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole (CID 158609333) is 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole.

What is the SMILES notation for 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole?

The canonical SMILES for 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole is Cn1c2c(c3cc(F)ccc31)CCN(c1ccc3oc(N4CCOCC4)nc3c1)C2.Cn1c2c(c3cc(F)cnc31)CCN(c1ccc(N3CCOCC3)cn1)C2.Cn1c2c(c3ccccc31)CCN(c1ccc3oc(N4CCOCC4)nc3c1)C2.Cn1c2c(c3ccccc31)CCN(c1nc3cc(N4CCOCC4)ccc3o1)C2.Cn1c2c(c3cccnc31)CCN(c1ccc(N3CCOCC3)nc1)C2.Fc1ccc2c3c([nH]c2c1)CN(c1ccc2oc(N4CCOCC4)nc2c1)CC3.c1ccc2c3c([nH]c2c1)CN(c1nc2ccc(N4CCOCC4)cc2o1)CC3.

What is the InChIKey of 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole?

The InChIKey is HWQDCZLDWQQCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2.2C23H24N4O2.C22H21FN4O2.C22H22N4O2.C20H22FN5O.C20H23N5O/c1-26-20-4-2-15(24)12-18(20)17-6-7-28(14-21(17)26)16-3-5-22-19(13-16)25-23(30-22)27-8-10-29-11-9-27;1-25-20-5-3-2-4-17(20)18-8-9-27(15-21(18)25)16-6-7-22-19(14-16)24-23(29-22)26-10-12-28-13-11-26;1-25-20-5-3-2-4-17(20)18-8-9-27(15-21(18)25)23-24-19-14-16(6-7-22(19)29-23)26-10-12-28-13-11-26;23-14-1-3-16-17-5-6-27(13-20(17)24-18(16)11-14)15-2-4-21-19(12-15)25-22(29-21)26-7-9-28-10-8-26;1-2-4-18-16(3-1)17-7-8-26(14-20(17)23-18)22-24-19-6-5-15(13-21(19)28-22)25-9-11-27-12-10-25;1-24-18-13-26(5-4-16(18)17-10-14(21)11-23-20(17)24)19-3-2-15(12-22-19)25-6-8-27-9-7-25;1-23-18-14-25(8-6-16(18)17-3-2-7-21-20(17)23)15-4-5-19(22-13-15)24-9-11-26-12-10-24/h2-5,12-13H,6-11,14H2,1H3;2*2-7,14H,8-13,15H2,1H3;1-4,11-12,24H,5-10,13H2;1-6,13,23H,7-12,14H2;2-3,10-12H,4-9,13H2,1H3;2-5,7,13H,6,8-12,14H2,1H3.

What are the key properties of 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole?

5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole has a molecular weight of 2667.15 g/mol, XLogP of 23.73, 14 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(12-fluoro-8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-3-pyridinyl]morpholine;5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(8-methyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-pyridinyl]morpholine;6-morpholin-4-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 158609333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).