5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone

C175H222ClN57O13 — CID 158052268

IUPAC5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone
SMILESCCc1nc(Nc2cc(C(=O)CCCC(C)C)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)NCCC(C)C)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)NCCC(C)C)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2cc(C(=O)Cc3ccccc3)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ccc(C(=O)Nc3ccccc3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2cccc(C(=O)Nc3ccccc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ncc(C(=O)Nc3ccccc3)cc2Cl)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ncccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H26N6O2.C22H24ClN7O2.3C22H25N7O2.C22H33N7O.2C21H32N8O/c1-3-20-25-22(29-13-11-28(2)12-14-29)27-23(26-20)31-21-16-18(9-10-24-21)19(30)15-17-7-5-4-6-8-17;1-3-18-26-21(30-11-9-29(2)10-12-30)28-22(27-18)32-20-17(23)13-15(14-24-20)19(31)25-16-7-5-4-6-8-16;1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-20-17(10-7-11-23-20)19(30)24-16-8-5-4-6-9-16;1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-19-11-7-10-17(24-19)20(30)23-16-8-5-4-6-9-16;1-3-18-25-21(29-13-11-28(2)12-14-29)27-22(26-18)31-19-10-9-16(15-23-19)20(30)24-17-7-5-4-6-8-17;1-5-19-24-21(27-22(26-19)29-13-11-28(4)12-14-29)25-20-15-17(9-10-23-20)18(30)8-6-7-16(2)3;1-5-17-24-20(27-21(25-17)29-13-11-28(4)12-14-29)26-18-16(7-6-9-22-18)19(30)23-10-8-15(2)3;1-5-17-24-20(27-21(26-17)29-13-11-28(4)12-14-29)25-18-8-6-7-16(23-18)19(30)22-10-9-15(2)3/h4-10,16H,3,11-15H2,1-2H3;4-8,13-14H,3,9-12H2,1-2H3,(H,25,31);4-11H,3,12-15H2,1-2H3,(H,24,30);4-11H,3,12-15H2,1-2H3,(H,23,30);4-10,15H,3,11-14H2,1-2H3,(H,24,30);9-10,15-16H,5-8,11-14H2,1-4H3,(H,23,24,25,26,27);6-7,9,15H,5,8,10-14H2,1-4H3,(H,23,30)(H,22,24,25,26,27);6-8,15H,5,9-14H2,1-4H3,(H,22,30)(H,23,24,25,26,27)
InChIKeyFJPVWAKJBDWHMJ-UHFFFAOYSA-N
MW3367.54 g/mol
LogP21.49
Rot. Bonds56

About 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone

5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone (PubChem CID 158052268) has the molecular formula C175H222ClN57O13 and a molecular weight of 3367.54 g/mol. Its IUPAC name is 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone.

Molecular Properties

Compound Name5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone
PubChem CID158052268
Molecular FormulaC175H222ClN57O13
Molecular Weight3367.54 g/mol
Exact Mass3364.82
IUPAC Name5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone
SMILESCCc1nc(Nc2cc(C(=O)CCCC(C)C)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)NCCC(C)C)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)NCCC(C)C)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2cc(C(=O)Cc3ccccc3)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ccc(C(=O)Nc3ccccc3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2cccc(C(=O)Nc3ccccc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ncc(C(=O)Nc3ccccc3)cc2Cl)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ncccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H26N6O2.C22H24ClN7O2.3C22H25N7O2.C22H33N7O.2C21H32N8O/c1-3-20-25-22(29-13-11-28(2)12-14-29)27-23(26-20)31-21-16-18(9-10-24-21)19(30)15-17-7-5-4-6-8-17;1-3-18-26-21(30-11-9-29(2)10-12-30)28-22(27-18)32-20-17(23)13-15(14-24-20)19(31)25-16-7-5-4-6-8-16;1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-20-17(10-7-11-23-20)19(30)24-16-8-5-4-6-9-16;1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-19-11-7-10-17(24-19)20(30)23-16-8-5-4-6-9-16;1-3-18-25-21(29-13-11-28(2)12-14-29)27-22(26-18)31-19-10-9-16(15-23-19)20(30)24-17-7-5-4-6-8-17;1-5-19-24-21(27-22(26-19)29-13-11-28(4)12-14-29)25-20-15-17(9-10-23-20)18(30)8-6-7-16(2)3;1-5-17-24-20(27-21(25-17)29-13-11-28(4)12-14-29)26-18-16(7-6-9-22-18)19(30)23-10-8-15(2)3;1-5-17-24-20(27-21(26-17)29-13-11-28(4)12-14-29)25-18-8-6-7-16(23-18)19(30)22-10-9-15(2)3/h4-10,16H,3,11-15H2,1-2H3;4-8,13-14H,3,9-12H2,1-2H3,(H,25,31);4-11H,3,12-15H2,1-2H3,(H,24,30);4-11H,3,12-15H2,1-2H3,(H,23,30);4-10,15H,3,11-14H2,1-2H3,(H,24,30);9-10,15-16H,5-8,11-14H2,1-4H3,(H,23,24,25,26,27);6-7,9,15H,5,8,10-14H2,1-4H3,(H,23,30)(H,22,24,25,26,27);6-8,15H,5,9-14H2,1-4H3,(H,22,30)(H,23,24,25,26,27)
InChIKeyFJPVWAKJBDWHMJ-UHFFFAOYSA-N
XLogP21.49
TPSA755.30 Ų
H-Bond Donors9
H-Bond Acceptors64
Rotatable Bonds56
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003367.54
LogP ≤ 521.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1064

Analyze 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone?
The IUPAC name of 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone (CID 158052268) is 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone.
What is the SMILES notation for 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone?
The canonical SMILES for 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone is CCc1nc(Nc2cc(C(=O)CCCC(C)C)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2cccc(C(=O)NCCC(C)C)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncccc2C(=O)NCCC(C)C)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2cc(C(=O)Cc3ccccc3)ccn2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ccc(C(=O)Nc3ccccc3)cn2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2cccc(C(=O)Nc3ccccc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ncc(C(=O)Nc3ccccc3)cc2Cl)nc(N2CCN(C)CC2)n1.CCc1nc(Oc2ncccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone?
The InChIKey is FJPVWAKJBDWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.C22H24ClN7O2.3C22H25N7O2.C22H33N7O.2C21H32N8O/c1-3-20-25-22(29-13-11-28(2)12-14-29)27-23(26-20)31-21-16-18(9-10-24-21)19(30)15-17-7-5-4-6-8-17;1-3-18-26-21(30-11-9-29(2)10-12-30)28-22(27-18)32-20-17(23)13-15(14-24-20)19(31)25-16-7-5-4-6-8-16;1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-20-17(10-7-11-23-20)19(30)24-16-8-5-4-6-9-16;1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-19-11-7-10-17(24-19)20(30)23-16-8-5-4-6-9-16;1-3-18-25-21(29-13-11-28(2)12-14-29)27-22(26-18)31-19-10-9-16(15-23-19)20(30)24-17-7-5-4-6-8-17;1-5-19-24-21(27-22(26-19)29-13-11-28(4)12-14-29)25-20-15-17(9-10-23-20)18(30)8-6-7-16(2)3;1-5-17-24-20(27-21(25-17)29-13-11-28(4)12-14-29)26-18-16(7-6-9-22-18)19(30)23-10-8-15(2)3;1-5-17-24-20(27-21(26-17)29-13-11-28(4)12-14-29)25-18-8-6-7-16(23-18)19(30)22-10-9-15(2)3/h4-10,16H,3,11-15H2,1-2H3;4-8,13-14H,3,9-12H2,1-2H3,(H,25,31);4-11H,3,12-15H2,1-2H3,(H,24,30);4-11H,3,12-15H2,1-2H3,(H,23,30);4-10,15H,3,11-14H2,1-2H3,(H,24,30);9-10,15-16H,5-8,11-14H2,1-4H3,(H,23,24,25,26,27);6-7,9,15H,5,8,10-14H2,1-4H3,(H,23,30)(H,22,24,25,26,27);6-8,15H,5,9-14H2,1-4H3,(H,22,30)(H,23,24,25,26,27).
What are the key properties of 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone?
5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone has a molecular weight of 3367.54 g/mol, XLogP of 21.49, 56 rotatable bonds, 9 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(3-methylbutyl)pyridine-2-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-5-methylhexan-1-one;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-2-carboxamide;6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide;1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-4-pyridinyl]-2-phenylethanone is sourced from PubChem (CID 158052268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).