5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)

C48H58F2N8O4 — CID 157307876

About 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)

5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane) (PubChem CID 157307876) has the molecular formula C48H58F2N8O4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane).

Molecular Properties

• Compound Name: 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)
• PubChem CID: 157307876
• Molecular Formula: C48H58F2N8O4
• Molecular Weight: 857.07 g/mol
• Exact Mass: 856.49
• IUPAC Name: 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)
• SMILES: Fc1ccc2c3c([nH]c2c1)CCN(c1ccc2nc(N4CCOCC4)oc2c1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc2oc(N4CCOCC4)nc2c1)C3.[3H]C.[3H]C.[3H]C.[3H]C
• InChI: InChI=1S/2C22H21FN4O2.4CH4/c23-14-1-3-16-17-13-27(6-5-18(17)24-19(16)11-14)15-2-4-21-20(12-15)25-22(29-21)26-7-9-28-10-8-26;23-14-1-3-16-17-13-27(6-5-18(17)24-20(16)11-14)15-2-4-19-21(12-15)29-22(25-19)26-7-9-28-10-8-26;;;;/h2*1-4,11-12,24H,5-10,13H2;4*1H4/i;;4*1T
• InChIKey: BCRVCQSXINOKMT-CKWOKCQXSA-N
• XLogP: 10.24
• TPSA: 115.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.07
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)?

The IUPAC name of 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane) (CID 157307876) is 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane).

What is the SMILES notation for 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)?

The canonical SMILES for 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane) is Fc1ccc2c3c([nH]c2c1)CCN(c1ccc2nc(N4CCOCC4)oc2c1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc2oc(N4CCOCC4)nc2c1)C3.[3H]C.[3H]C.[3H]C.[3H]C.

What is the InChIKey of 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)?

The InChIKey is BCRVCQSXINOKMT-CKWOKCQXSA-N. The full InChI is InChI=1S/2C22H21FN4O2.4CH4/c23-14-1-3-16-17-13-27(6-5-18(17)24-19(16)11-14)15-2-4-21-20(12-15)25-22(29-21)26-7-9-28-10-8-26;23-14-1-3-16-17-13-27(6-5-18(17)24-20(16)11-14)15-2-4-19-21(12-15)29-22(25-19)26-7-9-28-10-8-26;;;;/h2*1-4,11-12,24H,5-10,13H2;4*1H4/i;;4*1T.

What are the key properties of 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)?

5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane) has a molecular weight of 857.07 g/mol, XLogP of 10.24, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane) is sourced from PubChem (CID 157307876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).