4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride

C110H115ClF19N20O7+ — CID 163464069

IUPAC4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride
SMILESCc1cc2c(cn1)c1cccc(C(F)(F)F)c1n2CCN1CCOCC1.Cc1ccc2c3cccc(C(F)(F)F)c3n(CCN3CCOCC3)c2n1.Cc1nc2c(cc1F)c1cccc(C(F)(F)F)c1n2CCN1CCOCC1.Cc1ncc2c3cccc(C(F)(F)F)c3n(CCN3CCOCC3)c2n1.Cl.FC(F)(F)c1cccc2c3ccncc3n(CCN3CCOCC3)c12.O=[n+]1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCN3CCOCC3)c2c1
InChIInChI=1S/C19H19F4N3O.2C19H20F3N3O.C18H19F3N4O.C18H18F3N3O.C17H18F3N4O2.ClH/c1-12-16(20)11-14-13-3-2-4-15(19(21,22)23)17(13)26(18(14)24-12)6-5-25-7-9-27-10-8-25;1-13-11-17-15(12-23-13)14-3-2-4-16(19(20,21)22)18(14)25(17)6-5-24-7-9-26-10-8-24;1-13-5-6-15-14-3-2-4-16(19(20,21)22)17(14)25(18(15)23-13)8-7-24-9-11-26-12-10-24;1-12-22-11-14-13-3-2-4-15(18(19,20)21)16(13)25(17(14)23-12)6-5-24-7-9-26-10-8-24;19-18(20,21)15-3-1-2-14-13-4-5-22-12-16(13)24(17(14)15)7-6-23-8-10-25-11-9-23;18-17(19,20)16-15-13(1-3-21-16)12-2-4-23(25)11-14(12)24(15)6-5-22-7-9-26-10-8-22;/h2-4,11H,5-10H2,1H3;2-4,11-12H,5-10H2,1H3;2-6H,7-12H2,1H3;2-4,11H,5-10H2,1H3;1-5,12H,6-11H2;1-4,11,21H,5-10H2;1H/q;;;;;+1;
InChIKeyHYEKELLOSLPBDC-UHFFFAOYSA-N
MW2225.68 g/mol
LogP21.28
Rot. Bonds18

About 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride

4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride (PubChem CID 163464069) has the molecular formula C110H115ClF19N20O7+ and a molecular weight of 2225.68 g/mol. Its IUPAC name is 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride
PubChem CID163464069
Molecular FormulaC110H115ClF19N20O7+
Molecular Weight2225.68 g/mol
Exact Mass2223.86
IUPAC Name4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride
SMILESCc1cc2c(cn1)c1cccc(C(F)(F)F)c1n2CCN1CCOCC1.Cc1ccc2c3cccc(C(F)(F)F)c3n(CCN3CCOCC3)c2n1.Cc1nc2c(cc1F)c1cccc(C(F)(F)F)c1n2CCN1CCOCC1.Cc1ncc2c3cccc(C(F)(F)F)c3n(CCN3CCOCC3)c2n1.Cl.FC(F)(F)c1cccc2c3ccncc3n(CCN3CCOCC3)c12.O=[n+]1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCN3CCOCC3)c2c1
InChIInChI=1S/C19H19F4N3O.2C19H20F3N3O.C18H19F3N4O.C18H18F3N3O.C17H18F3N4O2.ClH/c1-12-16(20)11-14-13-3-2-4-15(19(21,22)23)17(13)26(18(14)24-12)6-5-25-7-9-27-10-8-25;1-13-11-17-15(12-23-13)14-3-2-4-16(19(20,21)22)18(14)25(17)6-5-24-7-9-26-10-8-24;1-13-5-6-15-14-3-2-4-16(19(20,21)22)17(14)25(18(15)23-13)8-7-24-9-11-26-12-10-24;1-12-22-11-14-13-3-2-4-15(18(19,20)21)16(13)25(17(14)23-12)6-5-24-7-9-26-10-8-24;19-18(20,21)15-3-1-2-14-13-4-5-22-12-16(13)24(17(14)15)7-6-23-8-10-25-11-9-23;18-17(19,20)16-15-13(1-3-21-16)12-2-4-23(25)11-14(12)24(15)6-5-22-7-9-26-10-8-22;/h2-4,11H,5-10H2,1H3;2-4,11-12H,5-10H2,1H3;2-6H,7-12H2,1H3;2-4,11H,5-10H2,1H3;1-5,12H,6-11H2;1-4,11,21H,5-10H2;1H/q;;;;;+1;
InChIKeyHYEKELLOSLPBDC-UHFFFAOYSA-N
XLogP21.28
TPSA220.50 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002225.68
LogP ≤ 521.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride with MolForge

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Related Compounds

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CID 88925583
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
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9-[2-[2-[6-[2-[9-[2-[2-[(6-Aminopurin-9-yl)methoxy]ethylamino]ethyl]-7-methylcarbazol-2-yl]-2-methylpropyl]-2-fluorocarbazol-9-yl]ethylamino]ethoxymethyl]purin-6-amine
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9-[4-[4-[[4-(4-Carbazol-9-ylphenyl)-3-methylphenyl]methyl]-2-methylphenyl]phenyl]carbazole;9-[4-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(2-phenylpyridine);5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[3,2-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[3,2-b]indole;rhodium(2+);8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157088916
3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine
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9-[2-[2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]pyrido[2,3-b]indole;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-carbazol-9-ylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(difluoromethyl)pyrimidin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 157124881
6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;2-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-methyl-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 157285401
2-[[2-[4-(4-Fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-4-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane
CID 157290086
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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5-[4-[[3,5-Bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;9-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[3,4-b]indol-9-ylphenyl)propan-2-yl]phenyl]pyrido[3,4-b]indole;8-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]propan-2-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[4-[1-(4-pyrido[3,2-b]indol-5-ylphenyl)cyclohexyl]phenyl]pyrido[3,2-b]indole;9-[4-[1-(4-pyrido[2,3-b]indol-9-ylphenyl)cyclohexyl]phenyl]pyrido[3,4-b]indole;5-[4-[2-[4-[2-(4-pyrido[3,2-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[3,2-b]indole
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CID 157470388
bis((E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide);(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)
CID 157535380

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride (CID 163464069) is 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride is Cc1cc2c(cn1)c1cccc(C(F)(F)F)c1n2CCN1CCOCC1.Cc1ccc2c3cccc(C(F)(F)F)c3n(CCN3CCOCC3)c2n1.Cc1nc2c(cc1F)c1cccc(C(F)(F)F)c1n2CCN1CCOCC1.Cc1ncc2c3cccc(C(F)(F)F)c3n(CCN3CCOCC3)c2n1.Cl.FC(F)(F)c1cccc2c3ccncc3n(CCN3CCOCC3)c12.O=[n+]1ccc2c3cc[nH]c(C(F)(F)F)c3n(CCN3CCOCC3)c2c1.
What is the InChIKey of 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride?
The InChIKey is HYEKELLOSLPBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O.2C19H20F3N3O.C18H19F3N4O.C18H18F3N3O.C17H18F3N4O2.ClH/c1-12-16(20)11-14-13-3-2-4-15(19(21,22)23)17(13)26(18(14)24-12)6-5-25-7-9-27-10-8-25;1-13-11-17-15(12-23-13)14-3-2-4-16(19(20,21)22)18(14)25(17)6-5-24-7-9-26-10-8-24;1-13-5-6-15-14-3-2-4-16(19(20,21)22)17(14)25(18(15)23-13)8-7-24-9-11-26-12-10-24;1-12-22-11-14-13-3-2-4-15(18(19,20)21)16(13)25(17(14)23-12)6-5-24-7-9-26-10-8-24;19-18(20,21)15-3-1-2-14-13-4-5-22-12-16(13)24(17(14)15)7-6-23-8-10-25-11-9-23;18-17(19,20)16-15-13(1-3-21-16)12-2-4-23(25)11-14(12)24(15)6-5-22-7-9-26-10-8-22;/h2-4,11H,5-10H2,1H3;2-4,11-12H,5-10H2,1H3;2-6H,7-12H2,1H3;2-4,11H,5-10H2,1H3;1-5,12H,6-11H2;1-4,11,21H,5-10H2;1H/q;;;;;+1;.
What are the key properties of 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride?
4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride has a molecular weight of 2225.68 g/mol, XLogP of 21.28, 18 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 163464069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).