N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide

C138H195N71O12 — CID 161468272

IUPACN-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
SMILESCCCNC(=O)c1nnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCNC(=O)c1nnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCc1nc(Nc2nnc(C(=O)NC(C)C)o2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nnc(C(=O)NC3CC3)o2)nc(N2CCN(C)CC2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(NC(C)C)n1
InChIInChI=1S/C20H25N9O.C20H27N9O.C19H25N9O.C18H22N8O.C16H23N9O2.C16H25N9O2.C15H25N9O2.C14H23N9O2/c1-14-21-19(25-20(22-14)29-10-8-28(2)9-11-29)24-17-12-16(26-27-17)13-18(30)23-15-6-4-3-5-7-15;1-14-21-19(25-20(22-14)29(4)11-10-28(2)3)24-17-12-16(26-27-17)13-18(30)23-15-8-6-5-7-9-15;1-13-21-18(20-9-10-28(2)3)25-19(22-13)24-16-11-15(26-27-16)12-17(29)23-14-7-5-4-6-8-14;1-11(2)19-17-20-12(3)21-18(24-17)23-15-9-14(25-26-15)10-16(27)22-13-7-5-4-6-8-13;1-3-11-18-14(20-15(19-11)25-8-6-24(2)7-9-25)21-16-23-22-13(27-16)12(26)17-10-4-5-10;1-5-11-18-14(20-15(19-11)25-8-6-24(4)7-9-25)21-16-23-22-13(27-16)12(26)17-10(2)3;1-5-7-16-11(25)12-22-23-15(26-12)21-14-19-10(6-2)18-13(20-14)17-8-9-24(3)4;1-5-9-17-12(16-7-8-23(3)4)19-13(18-9)20-14-22-21-11(25-14)10(24)15-6-2/h3-7,12H,8-11,13H2,1-2H3,(H,23,30)(H2,21,22,24,25,26,27);5-9,12H,10-11,13H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,23,29)(H3,20,21,22,24,25,26,27);4-9,11H,10H2,1-3H3,(H,22,27)(H3,19,20,21,23,24,25,26);10H,3-9H2,1-2H3,(H,17,26)(H,18,19,20,21,23);10H,5-9H2,1-4H3,(H,17,26)(H,18,19,20,21,23);5-9H2,1-4H3,(H,16,25)(H2,17,18,19,20,21,23);5-8H2,1-4H3,(H,15,24)(H2,16,17,18,19,20,22)
InChIKeyWCSNCWCHGJUUFD-UHFFFAOYSA-N
MW3040.56 g/mol
LogP9.47
Rot. Bonds62

About N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide

N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide (PubChem CID 161468272) has the molecular formula C138H195N71O12 and a molecular weight of 3040.56 g/mol. Its IUPAC name is N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
PubChem CID161468272
Molecular FormulaC138H195N71O12
Molecular Weight3040.56 g/mol
Exact Mass3038.68
IUPAC NameN-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
SMILESCCCNC(=O)c1nnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCNC(=O)c1nnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCc1nc(Nc2nnc(C(=O)NC(C)C)o2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nnc(C(=O)NC3CC3)o2)nc(N2CCN(C)CC2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(NC(C)C)n1
InChIInChI=1S/C20H25N9O.C20H27N9O.C19H25N9O.C18H22N8O.C16H23N9O2.C16H25N9O2.C15H25N9O2.C14H23N9O2/c1-14-21-19(25-20(22-14)29-10-8-28(2)9-11-29)24-17-12-16(26-27-17)13-18(30)23-15-6-4-3-5-7-15;1-14-21-19(25-20(22-14)29(4)11-10-28(2)3)24-17-12-16(26-27-17)13-18(30)23-15-8-6-5-7-9-15;1-13-21-18(20-9-10-28(2)3)25-19(22-13)24-16-11-15(26-27-16)12-17(29)23-14-7-5-4-6-8-14;1-11(2)19-17-20-12(3)21-18(24-17)23-15-9-14(25-26-15)10-16(27)22-13-7-5-4-6-8-13;1-3-11-18-14(20-15(19-11)25-8-6-24(2)7-9-25)21-16-23-22-13(27-16)12(26)17-10-4-5-10;1-5-11-18-14(20-15(19-11)25-8-6-24(4)7-9-25)21-16-23-22-13(27-16)12(26)17-10(2)3;1-5-7-16-11(25)12-22-23-15(26-12)21-14-19-10(6-2)18-13(20-14)17-8-9-24(3)4;1-5-9-17-12(16-7-8-23(3)4)19-13(18-9)20-14-22-21-11(25-14)10(24)15-6-2/h3-7,12H,8-11,13H2,1-2H3,(H,23,30)(H2,21,22,24,25,26,27);5-9,12H,10-11,13H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,23,29)(H3,20,21,22,24,25,26,27);4-9,11H,10H2,1-3H3,(H,22,27)(H3,19,20,21,23,24,25,26);10H,3-9H2,1-2H3,(H,17,26)(H,18,19,20,21,23);10H,5-9H2,1-4H3,(H,17,26)(H,18,19,20,21,23);5-9H2,1-4H3,(H,16,25)(H2,17,18,19,20,21,23);5-8H2,1-4H3,(H,15,24)(H2,16,17,18,19,20,22)
InChIKeyWCSNCWCHGJUUFD-UHFFFAOYSA-N
XLogP9.47
TPSA992.56 Ų
H-Bond Donors24
H-Bond Acceptors71
Rotatable Bonds62
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003040.56
LogP ≤ 59.47
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1071

Analyze N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The IUPAC name of N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide (CID 161468272) is N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The canonical SMILES for N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide is CCCNC(=O)c1nnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCNC(=O)c1nnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCc1nc(Nc2nnc(C(=O)NC(C)C)o2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nnc(C(=O)NC3CC3)o2)nc(N2CCN(C)CC2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(NC(C)C)n1.
What is the InChIKey of N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The InChIKey is WCSNCWCHGJUUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O.C20H27N9O.C19H25N9O.C18H22N8O.C16H23N9O2.C16H25N9O2.C15H25N9O2.C14H23N9O2/c1-14-21-19(25-20(22-14)29-10-8-28(2)9-11-29)24-17-12-16(26-27-17)13-18(30)23-15-6-4-3-5-7-15;1-14-21-19(25-20(22-14)29(4)11-10-28(2)3)24-17-12-16(26-27-17)13-18(30)23-15-8-6-5-7-9-15;1-13-21-18(20-9-10-28(2)3)25-19(22-13)24-16-11-15(26-27-16)12-17(29)23-14-7-5-4-6-8-14;1-11(2)19-17-20-12(3)21-18(24-17)23-15-9-14(25-26-15)10-16(27)22-13-7-5-4-6-8-13;1-3-11-18-14(20-15(19-11)25-8-6-24(2)7-9-25)21-16-23-22-13(27-16)12(26)17-10-4-5-10;1-5-11-18-14(20-15(19-11)25-8-6-24(4)7-9-25)21-16-23-22-13(27-16)12(26)17-10(2)3;1-5-7-16-11(25)12-22-23-15(26-12)21-14-19-10(6-2)18-13(20-14)17-8-9-24(3)4;1-5-9-17-12(16-7-8-23(3)4)19-13(18-9)20-14-22-21-11(25-14)10(24)15-6-2/h3-7,12H,8-11,13H2,1-2H3,(H,23,30)(H2,21,22,24,25,26,27);5-9,12H,10-11,13H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,23,29)(H3,20,21,22,24,25,26,27);4-9,11H,10H2,1-3H3,(H,22,27)(H3,19,20,21,23,24,25,26);10H,3-9H2,1-2H3,(H,17,26)(H,18,19,20,21,23);10H,5-9H2,1-4H3,(H,17,26)(H,18,19,20,21,23);5-9H2,1-4H3,(H,16,25)(H2,17,18,19,20,21,23);5-8H2,1-4H3,(H,15,24)(H2,16,17,18,19,20,22).
What are the key properties of N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide has a molecular weight of 3040.56 g/mol, XLogP of 9.47, 62 rotatable bonds, 24 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3,4-oxadiazole-2-carboxamide;5-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;5-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide is sourced from PubChem (CID 161468272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).