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

C78H92F4N12O8 — CID 157467562

IUPAC3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one
SMILESCOc1ccc2c3ccnc(C(F)(F)F)c3n(CC(C)N3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(CC(C)N3CCOCC3)c2c1.Cc1[nH]c(F)cc2c3ccc(=O)cc3n(CC(C)N3CCOCC3)c12.Cc1[nH]ccc2c3ccc(=O)cc3n(CC(C)N3CCOCC3)c12
InChIInChI=1S/C20H22F3N3O2.C20H25N3O2.C19H22FN3O2.C19H23N3O2/c1-13(25-7-9-28-10-8-25)12-26-17-11-14(27-2)3-4-15(17)16-5-6-24-19(18(16)26)20(21,22)23;1-14(22-8-10-25-11-9-22)13-23-19-12-16(24-3)4-5-17(19)18-6-7-21-15(2)20(18)23;1-12(22-5-7-25-8-6-22)11-23-17-9-14(24)3-4-15(17)16-10-18(20)21-13(2)19(16)23;1-13(21-7-9-24-10-8-21)12-22-18-11-15(23)3-4-16(18)17-5-6-20-14(2)19(17)22/h3-6,11,13H,7-10,12H2,1-2H3;4-7,12,14H,8-11,13H2,1-3H3;3-4,9-10,12,21H,5-8,11H2,1-2H3;3-6,11,13,20H,7-10,12H2,1-2H3
InChIKeyXFEJSYQSUOYZLE-UHFFFAOYSA-N
MW1401.66 g/mol
LogP12.33
Rot. Bonds14

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

3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 157467562) has the molecular formula C78H92F4N12O8 and a molecular weight of 1401.66 g/mol. Its IUPAC name is 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one
PubChem CID157467562
Molecular FormulaC78H92F4N12O8
Molecular Weight1401.66 g/mol
Exact Mass1400.71
IUPAC Name3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one
SMILESCOc1ccc2c3ccnc(C(F)(F)F)c3n(CC(C)N3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(CC(C)N3CCOCC3)c2c1.Cc1[nH]c(F)cc2c3ccc(=O)cc3n(CC(C)N3CCOCC3)c12.Cc1[nH]ccc2c3ccc(=O)cc3n(CC(C)N3CCOCC3)c12
InChIInChI=1S/C20H22F3N3O2.C20H25N3O2.C19H22FN3O2.C19H23N3O2/c1-13(25-7-9-28-10-8-25)12-26-17-11-14(27-2)3-4-15(17)16-5-6-24-19(18(16)26)20(21,22)23;1-14(22-8-10-25-11-9-22)13-23-19-12-16(24-3)4-5-17(19)18-6-7-21-15(2)20(18)23;1-12(22-5-7-25-8-6-22)11-23-17-9-14(24)3-4-15(17)16-10-18(20)21-13(2)19(16)23;1-13(21-7-9-24-10-8-21)12-22-18-11-15(23)3-4-16(18)17-5-6-20-14(2)19(17)22/h3-6,11,13H,7-10,12H2,1-2H3;4-7,12,14H,8-11,13H2,1-3H3;3-4,9-10,12,21H,5-8,11H2,1-2H3;3-6,11,13,20H,7-10,12H2,1-2H3
InChIKeyXFEJSYQSUOYZLE-UHFFFAOYSA-N
XLogP12.33
TPSA179.56 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.66
LogP ≤ 512.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

7-Methoxy-9-(2-piperazin-1-ylethyl)-1-(trifluoromethyl)pyrido[3,4-b]indole
CID 90460040
4-[1-[7-Methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine
CID 117611463
4-[2-[7-Methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine
CID 117611538
4-[2-[7-Methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
CID 117611558
4-[4-[7-Methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine
CID 117611568
4-[2-[7-Methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]-3-methylmorpholine
CID 117616696
5-[2-[6-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
CID 146373051
5-[2-[6-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 146373052
8-[2-[6-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride
CID 146373076
8-[2-[6-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 146373077
2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]-N-(oxolan-2-ylmethyl)ethanamine
CID 146385487
4-[2-[6-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]-3-methyl-5-propylmorpholine
CID 146389154

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one (CID 157467562) is 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one is COc1ccc2c3ccnc(C(F)(F)F)c3n(CC(C)N3CCOCC3)c2c1.COc1ccc2c3ccnc(C)c3n(CC(C)N3CCOCC3)c2c1.Cc1[nH]c(F)cc2c3ccc(=O)cc3n(CC(C)N3CCOCC3)c12.Cc1[nH]ccc2c3ccc(=O)cc3n(CC(C)N3CCOCC3)c12.
What is the InChIKey of 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is XFEJSYQSUOYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2.C20H25N3O2.C19H22FN3O2.C19H23N3O2/c1-13(25-7-9-28-10-8-25)12-26-17-11-14(27-2)3-4-15(17)16-5-6-24-19(18(16)26)20(21,22)23;1-14(22-8-10-25-11-9-22)13-23-19-12-16(24-3)4-5-17(19)18-6-7-21-15(2)20(18)23;1-12(22-5-7-25-8-6-22)11-23-17-9-14(24)3-4-15(17)16-10-18(20)21-13(2)19(16)23;1-13(21-7-9-24-10-8-21)12-22-18-11-15(23)3-4-16(18)17-5-6-20-14(2)19(17)22/h3-6,11,13H,7-10,12H2,1-2H3;4-7,12,14H,8-11,13H2,1-3H3;3-4,9-10,12,21H,5-8,11H2,1-2H3;3-6,11,13,20H,7-10,12H2,1-2H3.
What are the key properties of 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one?
3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 1401.66 g/mol, XLogP of 12.33, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine;1-methyl-9-(2-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 157467562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).