7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile

C164H105ClF30N28 — CID 167678931

IUPAC7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile
SMILESCc1c(F)cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1c(F)cc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)c(F)c1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1C#N.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1C(F)(F)F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1Cl.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F
InChIInChI=1S/C19H12F5N3.C19H12F4N2.C19H12F2N4.C18H12ClF2N3.2C18H11F4N3.2C18H12F3N3.C17H11F3N4/c1-10-15(19(22,23)24)6-12(8-26-10)11-2-3-13-14-9-25-5-4-16(14)27(18(20)21)17(13)7-11;1-10-15(20)6-12(7-16(10)21)11-2-3-13-14-9-24-5-4-17(14)25(19(22)23)18(13)8-11;1-11-13(8-22)6-14(9-24-11)12-2-3-15-16-10-23-5-4-17(16)25(19(20)21)18(15)7-12;1-10-15(19)6-12(8-23-10)11-2-3-13-14-9-22-5-4-16(14)24(18(20)21)17(13)7-11;1-9-13(19)6-10(7-14(9)20)15-3-2-11-12-8-23-5-4-16(12)25(18(21)22)17(11)24-15;1-9-16(19)17(20)12(8-24-9)10-2-3-11-13-7-23-5-4-14(13)25(18(21)22)15(11)6-10;2*1-10-15(19)6-12(8-23-10)11-2-3-13-14-9-22-5-4-16(14)24(18(20)21)17(13)7-11;1-9-13(18)6-10(7-22-9)14-3-2-11-12-8-21-5-4-15(12)24(17(19)20)16(11)23-14/h2-9,18H,1H3;2-9,19H,1H3;2-7,9-10,19H,1H3;2-9,18H,1H3;2*2-8,18H,1H3;2*2-9,18H,1H3;2-8,17H,1H3
InChIKeyVFSGUYMAJSKSKR-UHFFFAOYSA-N
MW3073.23 g/mol
LogP47.39
Rot. Bonds18

About 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile

7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile (PubChem CID 167678931) has the molecular formula C164H105ClF30N28 and a molecular weight of 3073.23 g/mol. Its IUPAC name is 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile
PubChem CID167678931
Molecular FormulaC164H105ClF30N28
Molecular Weight3073.23 g/mol
Exact Mass3070.83
IUPAC Name7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile
SMILESCc1c(F)cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1c(F)cc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)c(F)c1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1C#N.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1C(F)(F)F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1Cl.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F
InChIInChI=1S/C19H12F5N3.C19H12F4N2.C19H12F2N4.C18H12ClF2N3.2C18H11F4N3.2C18H12F3N3.C17H11F3N4/c1-10-15(19(22,23)24)6-12(8-26-10)11-2-3-13-14-9-25-5-4-16(14)27(18(20)21)17(13)7-11;1-10-15(20)6-12(7-16(10)21)11-2-3-13-14-9-24-5-4-17(14)25(19(22)23)18(13)8-11;1-11-13(8-22)6-14(9-24-11)12-2-3-15-16-10-23-5-4-17(16)25(19(20)21)18(15)7-12;1-10-15(19)6-12(8-23-10)11-2-3-13-14-9-22-5-4-16(14)24(18(20)21)17(13)7-11;1-9-13(19)6-10(7-14(9)20)15-3-2-11-12-8-23-5-4-16(12)25(18(21)22)17(11)24-15;1-9-16(19)17(20)12(8-24-9)10-2-3-11-13-7-23-5-4-14(13)25(18(21)22)15(11)6-10;2*1-10-15(19)6-12(8-23-10)11-2-3-13-14-9-22-5-4-16(14)24(18(20)21)17(13)7-11;1-9-13(18)6-10(7-22-9)14-3-2-11-12-8-21-5-4-15(12)24(17(19)20)16(11)23-14/h2-9,18H,1H3;2-9,19H,1H3;2-7,9-10,19H,1H3;2-9,18H,1H3;2*2-8,18H,1H3;2*2-9,18H,1H3;2-8,17H,1H3
InChIKeyVFSGUYMAJSKSKR-UHFFFAOYSA-N
XLogP47.39
TPSA300.18 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003073.23
LogP ≤ 547.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile with MolForge

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Related Compounds

2-[3-[5-[9-[2-Cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137381474
2-[9-[2-[2-[3,6-Bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyridin-4-yl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 137383621
4-[4-[2-[9-[2-Cyano-3-[3-[5-[2-[9-[2-cyano-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyrimidin-2-ylcarbazol-3-yl]pyrimidin-5-yl]-2-(trifluoromethyl)phenyl]-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 137386454
2,5-Bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386483
3,5-Bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386634
4-[3-Cyano-5-(trifluoromethyl)phenyl]-2,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137386909
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-(3,5-Difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole
CID 142489514
4-(3,5-Difluorophenyl)-2,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 142489522
2,6-Bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 145756569
2,5-Bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 145756832
3,5-Bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 145756865

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile (CID 167678931) is 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile is Cc1c(F)cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1c(F)cc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)c(F)c1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1C#N.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1C(F)(F)F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1Cl.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(C(F)F)c3n2)cc1F.
What is the InChIKey of 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile?
The InChIKey is VFSGUYMAJSKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3.C19H12F4N2.C19H12F2N4.C18H12ClF2N3.2C18H11F4N3.2C18H12F3N3.C17H11F3N4/c1-10-15(19(22,23)24)6-12(8-26-10)11-2-3-13-14-9-25-5-4-16(14)27(18(20)21)17(13)7-11;1-10-15(20)6-12(7-16(10)21)11-2-3-13-14-9-24-5-4-17(14)25(19(22)23)18(13)8-11;1-11-13(8-22)6-14(9-24-11)12-2-3-15-16-10-23-5-4-17(16)25(19(20)21)18(15)7-12;1-10-15(19)6-12(8-23-10)11-2-3-13-14-9-22-5-4-16(14)24(18(20)21)17(13)7-11;1-9-13(19)6-10(7-14(9)20)15-3-2-11-12-8-23-5-4-16(12)25(18(21)22)17(11)24-15;1-9-16(19)17(20)12(8-24-9)10-2-3-11-13-7-23-5-4-14(13)25(18(21)22)15(11)6-10;2*1-10-15(19)6-12(8-23-10)11-2-3-13-14-9-22-5-4-16(14)24(18(20)21)17(13)7-11;1-9-13(18)6-10(7-22-9)14-3-2-11-12-8-21-5-4-15(12)24(17(19)20)16(11)23-14/h2-9,18H,1H3;2-9,19H,1H3;2-7,9-10,19H,1H3;2-9,18H,1H3;2*2-8,18H,1H3;2*2-9,18H,1H3;2-8,17H,1H3.
What are the key properties of 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile?
7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile has a molecular weight of 3073.23 g/mol, XLogP of 47.39, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-6-methyl-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole;5-(difluoromethyl)-7-(3,5-difluoro-4-methylphenyl)pyrido[4,3-b]indole;8-(difluoromethyl)-11-(3,5-difluoro-4-methylphenyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-(4,5-difluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;bis(5-(difluoromethyl)-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole);8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(difluoromethyl)-7-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 167678931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).