4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one

C76H85F7N12O8 — CID 157374903

About 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one

4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 157374903) has the molecular formula C76H85F7N12O8 and a molecular weight of 1427.58 g/mol. Its IUPAC name is 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

• Compound Name: 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
• PubChem CID: 157374903
• Molecular Formula: C76H85F7N12O8
• Molecular Weight: 1427.58 g/mol
• Exact Mass: 1426.65
• IUPAC Name: 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
• SMILES: CC(Cn1c2cc(=O)ccc2c2cc[nH]c(C(F)(F)F)c21)N1CCOCC1.COc1ccc2c3cc(F)nc(C)c3n(CCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C(F)(F)F)c3n(CCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(CCN3CCOCC3)c2c1
• InChI: InChI=1S/2C19H20F3N3O2.C19H22FN3O2.C19H23N3O2/c1-12(24-6-8-27-9-7-24)11-25-16-10-13(26)2-3-14(16)15-4-5-23-18(17(15)25)19(20,21)22;1-26-13-2-3-14-15-4-5-23-18(19(20,21)22)17(15)25(16(14)12-13)7-6-24-8-10-27-11-9-24;1-13-19-16(12-18(20)21-13)15-4-3-14(24-2)11-17(15)23(19)6-5-22-7-9-25-10-8-22;1-14-19-17(5-6-20-14)16-4-3-15(23-2)13-18(16)22(19)8-7-21-9-11-24-12-10-21/h2-5,10,12,23H,6-9,11H2,1H3;2-5,12H,6-11H2,1H3;3-4,11-12H,5-10H2,1-2H3;3-6,13H,7-12H2,1-2H3
• InChIKey: WBSMKKLUNSZTNM-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 168.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.58
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

The IUPAC name of 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (CID 157374903) is 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.

What is the SMILES notation for 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

The canonical SMILES for 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is CC(Cn1c2cc(=O)ccc2c2cc[nH]c(C(F)(F)F)c21)N1CCOCC1.COc1ccc2c3cc(F)nc(C)c3n(CCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C(F)(F)F)c3n(CCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(CCN3CCOCC3)c2c1.

What is the InChIKey of 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

The InChIKey is WBSMKKLUNSZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20F3N3O2.C19H22FN3O2.C19H23N3O2/c1-12(24-6-8-27-9-7-24)11-25-16-10-13(26)2-3-14(16)15-4-5-23-18(17(15)25)19(20,21)22;1-26-13-2-3-14-15-4-5-23-18(19(20,21)22)17(15)25(16(14)12-13)7-6-24-8-10-27-11-9-24;1-13-19-16(12-18(20)21-13)15-4-3-14(24-2)11-17(15)23(19)6-5-22-7-9-25-10-8-22;1-14-19-17(5-6-20-14)16-4-3-15(23-2)13-18(16)22(19)8-7-21-9-11-24-12-10-21/h2-5,10,12,23H,6-9,11H2,1H3;2-5,12H,6-11H2,1H3;3-4,11-12H,5-10H2,1-2H3;3-6,13H,7-12H2,1-2H3.

What are the key properties of 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?

4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 1427.58 g/mol, XLogP of 12.59, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine;4-[2-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;9-(2-morpholin-4-ylpropyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 157374903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).