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

C80H92F8N12O8 — CID 157308033

IUPAC4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
SMILESCOc1ccc2c3cc(F)nc(C)c3n(CCCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C(F)(F)F)c3n(CCCCN3CCOCC3)c2c1.Cc1[nH]c(F)cc2c3ccc(=O)cc3n(CCCN3CCOCC3)c12.O=c1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCCCN3CCOCC3)c2c1
InChIInChI=1S/C21H24F3N3O2.C20H22F3N3O2.C20H24FN3O2.C19H22FN3O2/c1-28-15-4-5-16-17-6-7-25-20(21(22,23)24)19(17)27(18(16)14-15)9-3-2-8-26-10-12-29-13-11-26;21-20(22,23)19-18-16(5-6-24-19)15-4-3-14(27)13-17(15)26(18)8-2-1-7-25-9-11-28-12-10-25;1-14-20-17(13-19(21)22-14)16-5-4-15(25-2)12-18(16)24(20)7-3-6-23-8-10-26-11-9-23;1-13-19-16(12-18(20)21-13)15-4-3-14(24)11-17(15)23(19)6-2-5-22-7-9-25-10-8-22/h4-7,14H,2-3,8-13H2,1H3;3-6,13,24H,1-2,7-12H2;4-5,12-13H,3,6-11H2,1-2H3;3-4,11-12,21H,2,5-10H2,1H3
InChIKeyZIXLDLFADLWHPB-UHFFFAOYSA-N
MW1501.68 g/mol
LogP13.96
Rot. Bonds20

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

4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 157308033) has the molecular formula C80H92F8N12O8 and a molecular weight of 1501.68 g/mol. Its IUPAC name is 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
PubChem CID157308033
Molecular FormulaC80H92F8N12O8
Molecular Weight1501.68 g/mol
Exact Mass1500.70
IUPAC Name4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one
SMILESCOc1ccc2c3cc(F)nc(C)c3n(CCCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C(F)(F)F)c3n(CCCCN3CCOCC3)c2c1.Cc1[nH]c(F)cc2c3ccc(=O)cc3n(CCCN3CCOCC3)c12.O=c1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCCCN3CCOCC3)c2c1
InChIInChI=1S/C21H24F3N3O2.C20H22F3N3O2.C20H24FN3O2.C19H22FN3O2/c1-28-15-4-5-16-17-6-7-25-20(21(22,23)24)19(17)27(18(16)14-15)9-3-2-8-26-10-12-29-13-11-26;21-20(22,23)19-18-16(5-6-24-19)15-4-3-14(27)13-17(15)26(18)8-2-1-7-25-9-11-28-12-10-25;1-14-20-17(13-19(21)22-14)16-5-4-15(25-2)12-18(16)24(20)7-3-6-23-8-10-26-11-9-23;1-13-19-16(12-18(20)21-13)15-4-3-14(24)11-17(15)23(19)6-2-5-22-7-9-25-10-8-22/h4-7,14H,2-3,8-13H2,1H3;3-6,13,24H,1-2,7-12H2;4-5,12-13H,3,6-11H2,1-2H3;3-4,11-12,21H,2,5-10H2,1H3
InChIKeyZIXLDLFADLWHPB-UHFFFAOYSA-N
XLogP13.96
TPSA179.56 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001501.68
LogP ≤ 513.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Related Compounds

9-[(4-Fluorophenyl)methyl]-7-[5-[9-[(4-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-7-yl]oxypentoxy]-1-methylpyrido[3,4-b]indole
CID 71017712
4-[3-[7-Methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propyl]morpholine
CID 117611449
7-Methoxy-9-(3-piperazin-1-ylpropyl)-1-(trifluoromethyl)pyrido[3,4-b]indole
CID 117611547
4-[2-[6-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
CID 146372923
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
4-[2-[8-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
CID 146373073
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-[2-[6-Fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]-7-oxa-2-azabicyclo[2.2.1]heptane
CID 146385472
2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]-N-(oxolan-2-ylmethyl)ethanamine
CID 146385487
4-[2-[7-Methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine
CID 156266661
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one (CID 157308033) is 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is COc1ccc2c3cc(F)nc(C)c3n(CCCN3CCOCC3)c2c1.COc1ccc2c3ccnc(C(F)(F)F)c3n(CCCCN3CCOCC3)c2c1.Cc1[nH]c(F)cc2c3ccc(=O)cc3n(CCCN3CCOCC3)c12.O=c1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCCCN3CCOCC3)c2c1.
What is the InChIKey of 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is ZIXLDLFADLWHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2.C20H22F3N3O2.C20H24FN3O2.C19H22FN3O2/c1-28-15-4-5-16-17-6-7-25-20(21(22,23)24)19(17)27(18(16)14-15)9-3-2-8-26-10-12-29-13-11-26;21-20(22,23)19-18-16(5-6-24-19)15-4-3-14(27)13-17(15)26(18)8-2-1-7-25-9-11-28-12-10-25;1-14-20-17(13-19(21)22-14)16-5-4-15(25-2)12-18(16)24(20)7-3-6-23-8-10-26-11-9-23;1-13-19-16(12-18(20)21-13)15-4-3-14(24)11-17(15)23(19)6-2-5-22-7-9-25-10-8-22/h4-7,14H,2-3,8-13H2,1H3;3-6,13,24H,1-2,7-12H2;4-5,12-13H,3,6-11H2,1-2H3;3-4,11-12,21H,2,5-10H2,1H3.
What are the key properties of 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one?
4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 1501.68 g/mol, XLogP of 13.96, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propyl]morpholine;3-fluoro-1-methyl-9-(3-morpholin-4-ylpropyl)-2H-pyrido[3,4-b]indol-7-one;4-[4-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butyl]morpholine;9-(4-morpholin-4-ylbutyl)-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 157308033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).