2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone

C182H205F13N62O9 — CID 161462112

IUPAC2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone
SMILESCCc1nc(Nc2cc(C(=O)Cc3c(F)cccc3C(F)(F)F)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cc(C(=O)Cc3ccc(F)cc3)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccc(C(=O)Nc3cccc(OC)c3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)Nc3c(F)cccc3C(F)(F)F)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)Nc3ccc(F)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)Nc2c(C)cccc2F)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C24H25F4N7O.C23H24F4N8O.C23H27FN8O.C23H26FN7O.C23H28N8O2.3C22H25FN8O/c1-3-20-30-22(33-23(32-20)35-11-9-34(2)10-12-35)31-21-13-15(7-8-29-21)19(36)14-16-17(24(26,27)28)5-4-6-18(16)25;1-3-17-29-21(33-22(31-17)35-12-10-34(2)11-13-35)30-18-9-5-8-16(28-18)20(36)32-19-14(23(25,26)27)6-4-7-15(19)24;1-4-18-26-22(30-23(27-18)32-13-11-31(3)12-14-32)29-20-16(8-6-10-25-20)21(33)28-19-15(2)7-5-9-17(19)24;1-3-20-26-22(29-23(28-20)31-12-10-30(2)11-13-31)27-21-15-17(8-9-25-21)19(32)14-16-4-6-18(24)7-5-16;1-4-19-26-22(29-23(28-19)31-12-10-30(2)11-13-31)27-20-9-8-16(15-24-20)21(32)25-17-6-5-7-18(14-17)33-3;1-3-18-26-21(29-22(28-18)31-12-10-30(2)11-13-31)27-19-9-4-15(14-24-19)20(32)25-17-7-5-16(23)6-8-17;1-3-18-26-21(29-22(27-18)31-13-11-30(2)12-14-31)28-19-17(5-4-10-24-19)20(32)25-16-8-6-15(23)7-9-16;1-3-18-26-21(29-22(28-18)31-13-11-30(2)12-14-31)27-19-6-4-5-17(25-19)20(32)24-16-9-7-15(23)8-10-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,29,30,31,32,33);4-9H,3,10-13H2,1-2H3,(H,32,36)(H,28,29,30,31,33);5-10H,4,11-14H2,1-3H3,(H,28,33)(H,25,26,27,29,30);4-9,15H,3,10-14H2,1-2H3,(H,25,26,27,28,29);5-9,14-15H,4,10-13H2,1-3H3,(H,25,32)(H,24,26,27,28,29);4-9,14H,3,10-13H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-10H,3,11-14H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-10H,3,11-14H2,1-2H3,(H,24,32)(H,25,26,27,28,29)
InChIKeyWBYJOQQMVOYBGP-UHFFFAOYSA-N
MW3652.04 g/mol
LogP24.29
Rot. Bonds51

About 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 161462112) has the molecular formula C182H205F13N62O9 and a molecular weight of 3652.04 g/mol. Its IUPAC name is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone
PubChem CID161462112
Molecular FormulaC182H205F13N62O9
Molecular Weight3652.04 g/mol
Exact Mass3649.73
IUPAC Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone
SMILESCCc1nc(Nc2cc(C(=O)Cc3c(F)cccc3C(F)(F)F)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cc(C(=O)Cc3ccc(F)cc3)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccc(C(=O)Nc3cccc(OC)c3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)Nc3c(F)cccc3C(F)(F)F)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)Nc3ccc(F)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)Nc2c(C)cccc2F)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C24H25F4N7O.C23H24F4N8O.C23H27FN8O.C23H26FN7O.C23H28N8O2.3C22H25FN8O/c1-3-20-30-22(33-23(32-20)35-11-9-34(2)10-12-35)31-21-13-15(7-8-29-21)19(36)14-16-17(24(26,27)28)5-4-6-18(16)25;1-3-17-29-21(33-22(31-17)35-12-10-34(2)11-13-35)30-18-9-5-8-16(28-18)20(36)32-19-14(23(25,26)27)6-4-7-15(19)24;1-4-18-26-22(30-23(27-18)32-13-11-31(3)12-14-32)29-20-16(8-6-10-25-20)21(33)28-19-15(2)7-5-9-17(19)24;1-3-20-26-22(29-23(28-20)31-12-10-30(2)11-13-31)27-21-15-17(8-9-25-21)19(32)14-16-4-6-18(24)7-5-16;1-4-19-26-22(29-23(28-19)31-12-10-30(2)11-13-31)27-20-9-8-16(15-24-20)21(32)25-17-6-5-7-18(14-17)33-3;1-3-18-26-21(29-22(28-18)31-12-10-30(2)11-13-31)27-19-9-4-15(14-24-19)20(32)25-17-7-5-16(23)6-8-17;1-3-18-26-21(29-22(27-18)31-13-11-30(2)12-14-31)28-19-17(5-4-10-24-19)20(32)25-16-8-6-15(23)7-9-16;1-3-18-26-21(29-22(28-18)31-13-11-30(2)12-14-31)27-19-6-4-5-17(25-19)20(32)24-16-9-7-15(23)8-10-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,29,30,31,32,33);4-9H,3,10-13H2,1-2H3,(H,32,36)(H,28,29,30,31,33);5-10H,4,11-14H2,1-3H3,(H,28,33)(H,25,26,27,29,30);4-9,15H,3,10-14H2,1-2H3,(H,25,26,27,28,29);5-9,14-15H,4,10-13H2,1-3H3,(H,25,32)(H,24,26,27,28,29);4-9,14H,3,10-13H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-10H,3,11-14H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-10H,3,11-14H2,1-2H3,(H,24,32)(H,25,26,27,28,29)
InChIKeyWBYJOQQMVOYBGP-UHFFFAOYSA-N
XLogP24.29
TPSA778.53 Ų
H-Bond Donors14
H-Bond Acceptors65
Rotatable Bonds51
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003652.04
LogP ≤ 524.29
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1065

Analyze 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone (CID 161462112) is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone is CCc1nc(Nc2cc(C(=O)Cc3c(F)cccc3C(F)(F)F)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cc(C(=O)Cc3ccc(F)cc3)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccc(C(=O)Nc3cccc(OC)c3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)Nc3c(F)cccc3C(F)(F)F)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)Nc3ccc(F)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)Nc2c(C)cccc2F)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WBYJOQQMVOYBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N7O.C23H24F4N8O.C23H27FN8O.C23H26FN7O.C23H28N8O2.3C22H25FN8O/c1-3-20-30-22(33-23(32-20)35-11-9-34(2)10-12-35)31-21-13-15(7-8-29-21)19(36)14-16-17(24(26,27)28)5-4-6-18(16)25;1-3-17-29-21(33-22(31-17)35-12-10-34(2)11-13-35)30-18-9-5-8-16(28-18)20(36)32-19-14(23(25,26)27)6-4-7-15(19)24;1-4-18-26-22(30-23(27-18)32-13-11-31(3)12-14-32)29-20-16(8-6-10-25-20)21(33)28-19-15(2)7-5-9-17(19)24;1-3-20-26-22(29-23(28-20)31-12-10-30(2)11-13-31)27-21-15-17(8-9-25-21)19(32)14-16-4-6-18(24)7-5-16;1-4-19-26-22(29-23(28-19)31-12-10-30(2)11-13-31)27-20-9-8-16(15-24-20)21(32)25-17-6-5-7-18(14-17)33-3;1-3-18-26-21(29-22(28-18)31-12-10-30(2)11-13-31)27-19-9-4-15(14-24-19)20(32)25-17-7-5-16(23)6-8-17;1-3-18-26-21(29-22(27-18)31-13-11-30(2)12-14-31)28-19-17(5-4-10-24-19)20(32)25-16-8-6-15(23)7-9-16;1-3-18-26-21(29-22(28-18)31-13-11-30(2)12-14-31)27-19-6-4-5-17(25-19)20(32)24-16-9-7-15(23)8-10-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,29,30,31,32,33);4-9H,3,10-13H2,1-2H3,(H,32,36)(H,28,29,30,31,33);5-10H,4,11-14H2,1-3H3,(H,28,33)(H,25,26,27,29,30);4-9,15H,3,10-14H2,1-2H3,(H,25,26,27,28,29);5-9,14-15H,4,10-13H2,1-3H3,(H,25,32)(H,24,26,27,28,29);4-9,14H,3,10-13H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-10H,3,11-14H2,1-2H3,(H,25,32)(H,24,26,27,28,29);4-10H,3,11-14H2,1-2H3,(H,24,32)(H,25,26,27,28,29).
What are the key properties of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone?
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 3652.04 g/mol, XLogP of 24.29, 51 rotatable bonds, 14 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[2-fluoro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methoxyphenyl)pyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-(4-fluorophenyl)ethanone;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 161462112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).