6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine

C104H104F3N21O6 — CID 159398203

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

6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine (PubChem CID 159398203) has the molecular formula C104H104F3N21O6 and a molecular weight of 1801.11 g/mol. Its IUPAC name is 6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
• PubChem CID: 159398203
• Molecular Formula: C104H104F3N21O6
• Molecular Weight: 1801.11 g/mol
• Exact Mass: 1799.84
• IUPAC Name: 6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
• SMILES: CNc1nc2ccc(N3CCc4[nH]c5ccc(F)cc5c4C3)cc2o1.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2cc(N4CCOCC4)ncc2n1)CC3.Fc1cccc2c3c([nH]c12)CCN(c1ccc2oc(N4CCOCC4)nc2c1)C3.c1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)cn1)C3.c1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3
• InChI: InChI=1S/C23H22FN5O.C22H21FN4O2.2C20H22N4O.C19H17FN4O/c24-16-2-3-19-17(12-16)18-14-29(6-5-20(18)26-19)22-4-1-15-11-23(25-13-21(15)27-22)28-7-9-30-10-8-28;23-17-3-1-2-15-16-13-27(7-6-18(16)24-21(15)17)14-4-5-20-19(12-14)25-22(29-20)26-8-10-28-11-9-26;1-2-4-18-16(3-1)17-14-24(8-7-19(17)22-18)15-5-6-20(21-13-15)23-9-11-25-12-10-23;1-2-4-18-16(3-1)17-14-24(8-7-19(17)22-18)20-6-5-15(13-21-20)23-9-11-25-12-10-23;1-21-19-23-17-5-3-12(9-18(17)25-19)24-7-6-16-14(10-24)13-8-11(20)2-4-15(13)22-16/h1-4,11-13,26H,5-10,14H2;1-5,12,24H,6-11,13H2;2*1-6,13,22H,7-12,14H2;2-5,8-9,22H,6-7,10H2,1H3,(H,21,23)
• InChIKey: LMZRPTFMQSIMCW-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 260.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.11
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine (CID 159398203) is 6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine.

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

The canonical SMILES for 6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine is CNc1nc2ccc(N3CCc4[nH]c5ccc(F)cc5c4C3)cc2o1.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2cc(N4CCOCC4)ncc2n1)CC3.Fc1cccc2c3c([nH]c12)CCN(c1ccc2oc(N4CCOCC4)nc2c1)C3.c1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)cn1)C3.c1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3.

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

The InChIKey is LMZRPTFMQSIMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O.C22H21FN4O2.2C20H22N4O.C19H17FN4O/c24-16-2-3-19-17(12-16)18-14-29(6-5-20(18)26-19)22-4-1-15-11-23(25-13-21(15)27-22)28-7-9-30-10-8-28;23-17-3-1-2-15-16-13-27(7-6-18(16)24-21(15)17)14-4-5-20-19(12-14)25-22(29-20)26-8-10-28-11-9-26;1-2-4-18-16(3-1)17-14-24(8-7-19(17)22-18)15-5-6-20(21-13-15)23-9-11-25-12-10-23;1-2-4-18-16(3-1)17-14-24(8-7-19(17)22-18)20-6-5-15(13-21-20)23-9-11-25-12-10-23;1-21-19-23-17-5-3-12(9-18(17)25-19)24-7-6-16-14(10-24)13-8-11(20)2-4-15(13)22-16/h1-4,11-13,26H,5-10,14H2;1-5,12,24H,6-11,13H2;2*1-6,13,22H,7-12,14H2;2-5,8-9,22H,6-7,10H2,1H3,(H,21,23).

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

6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine has a molecular weight of 1801.11 g/mol, XLogP of 17.47, 10 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzoxazol-2-amine;5-(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,7-naphthyridin-6-yl]morpholine;4-[5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine is sourced from PubChem (CID 159398203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).