4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine

C94H100F16N16O5 — CID 163497331

IUPAC4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
SMILESC.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.FC(F)(F)c1cccc2c3ccncc3n(CCN3CCOCC3)c12
InChIInChI=1S/C19H19F4N3O.2C19H20F3N3O.C18H19F3N4O.C18H18F3N3O.CH4/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;/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;1H4
InChIKeyCRVSWERFZAYDLI-UHFFFAOYSA-N
MW1837.91 g/mol
LogP19.11
Rot. Bonds15

About 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine

4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine (PubChem CID 163497331) has the molecular formula C94H100F16N16O5 and a molecular weight of 1837.91 g/mol. Its IUPAC name is 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
PubChem CID163497331
Molecular FormulaC94H100F16N16O5
Molecular Weight1837.91 g/mol
Exact Mass1836.78
IUPAC Name4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
SMILESC.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.FC(F)(F)c1cccc2c3ccncc3n(CCN3CCOCC3)c12
InChIInChI=1S/C19H19F4N3O.2C19H20F3N3O.C18H19F3N4O.C18H18F3N3O.CH4/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;/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;1H4
InChIKeyCRVSWERFZAYDLI-UHFFFAOYSA-N
XLogP19.11
TPSA164.34 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001837.91
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine with MolForge

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Related Compounds

9H-Pyrimido(4,5-b)indole, 9-(2-(4-morpholinyl)ethyl)-2,4-di-1-pyrrolidinyl-, hydrochloride, hydrate (2:2:1)
CID 129649853
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
CID 23391300
5-[2,6-bis[(3S)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1,3-dihydrobenzimidazol-2-one;(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-indol-4-yl)-7H-purin-6-yl]-3-methylmorpholine
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
CID 90775981
bis[2-[4-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]pyrrolidin-1-yl]methanone
CID 123520442
4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
CID 123836500
9-[4-[4-[3-[2-[6-(4-Carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole
CID 138593212
9-[4-[4-[6-[6-(3,6-Difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
CID 138593219
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
CID 139448109
4-(10-Fluoro-3-methyl-4,14,17,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-5-yl)morpholine
CID 142489941
N-[8-[3-[3-[bis(8-fluoro-3-methylimidazo[2,1-a]isoquinolin-2-yl)amino]-5-tert-butylphenyl]-3-methylbutyl]-3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-yl]-N-(2-tert-butylpyrimidin-5-yl)-3-(2,2-dimethylpropyl)-8-methylimidazo[2,1-a]isoquinolin-2-amine
CID 144497952
3-[[11-(3,4-difluoroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-N-(4-fluoro-3-morpholin-4-ylphenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 144891353

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;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine (CID 163497331) is 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine is C.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.FC(F)(F)c1cccc2c3ccncc3n(CCN3CCOCC3)c12.
What is the InChIKey of 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The InChIKey is CRVSWERFZAYDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O.2C19H20F3N3O.C18H19F3N4O.C18H18F3N3O.CH4/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;/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;1H4.
What are the key properties of 4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
4-[2-[3-fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine has a molecular weight of 1837.91 g/mol, XLogP of 19.11, 15 rotatable bonds, 0 hydrogen bond donors, and 21 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;methane;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;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine is sourced from PubChem (CID 163497331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).