4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide

C210H230F6N72O15 — CID 158587754

IUPAC4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C#N.CCC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.CCNC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(OC)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC(C)C.Cc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n(C)n1.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)c(C(F)(F)F)c3)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(OCC(=O)NC(C)C)c(C(F)(F)F)c3)nn2C)ccc1N
InChIInChI=1S/C22H24F3N7O2.C22H22N8O2.2C22H25N7O2.C21H26N8O.C21H25N7O.C20H20F3N7O.C20H21N7O2.2C20H21N7O/c1-12(2)28-19(33)11-34-18-7-4-13(9-16(18)22(23,24)25)20-30-21(32(3)31-20)29-15-5-6-17(27)14(8-15)10-26;1-13(2)25-20(31)12-32-19-7-4-14(8-15(19)10-23)21-27-22(30(3)29-21)26-17-5-6-18-16(9-17)11-24-28-18;1-13(2)24-20(30)12-31-17-6-7-18(14(3)9-17)21-26-22(29(4)28-21)25-16-5-8-19-15(10-16)11-23-27-19;1-13(2)24-20(30)12-31-19-8-5-15(9-14(19)3)21-26-22(29(4)28-21)25-17-6-7-18-16(10-17)11-23-27-18;1-3-22-21(30)29-10-8-14(9-11-29)19-25-20(28(2)27-19)24-17-7-6-16-15(12-23-26-16)18(17)13-4-5-13;1-3-18(29)28-10-8-14(9-11-28)20-24-21(27(2)26-20)23-17-7-6-16-15(12-22-25-16)19(17)13-4-5-13;1-3-26-18(31)14-6-4-11(9-15(14)20(21,22)23)17-28-19(30(2)29-17)27-13-5-7-16(25)12(8-13)10-24;1-4-21-19(28)12-5-7-15(17(10-12)29-3)18-24-20(27(2)26-18)23-14-6-8-16-13(9-14)11-22-25-16;1-4-21-19(28)13-5-7-16(12(2)9-13)18-24-20(27(3)26-18)23-15-6-8-17-14(10-15)11-22-25-17;1-4-21-19(28)16-7-5-13(9-12(16)2)18-24-20(27(3)26-18)23-15-6-8-17-14(10-15)11-22-25-17/h4-10,12,26H,11,27H2,1-3H3,(H,28,33)(H,29,30,31);4-9,11,13H,12H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);2*5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);6-8,12-13H,3-5,9-11H2,1-2H3,(H,22,30)(H,23,26)(H,24,25,27);6-8,12-13H,3-5,9-11H2,1-2H3,(H,22,25)(H,23,24,26);4-10,24H,3,25H2,1-2H3,(H,26,31)(H,27,28,29);5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26);2*5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26)/b26-10+;;;;;;24-10+;;;
InChIKeyHUASHLLCUSLRNC-WGDURBOLSA-N
MW4116.63 g/mol
LogP32.46
Rot. Bonds61

About 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide

4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide (PubChem CID 158587754) has the molecular formula C210H230F6N72O15 and a molecular weight of 4116.63 g/mol. Its IUPAC name is 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide
PubChem CID158587754
Molecular FormulaC210H230F6N72O15
Molecular Weight4116.63 g/mol
Exact Mass4113.94
IUPAC Name4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C#N.CCC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.CCNC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(OC)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC(C)C.Cc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n(C)n1.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)c(C(F)(F)F)c3)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(OCC(=O)NC(C)C)c(C(F)(F)F)c3)nn2C)ccc1N
InChIInChI=1S/C22H24F3N7O2.C22H22N8O2.2C22H25N7O2.C21H26N8O.C21H25N7O.C20H20F3N7O.C20H21N7O2.2C20H21N7O/c1-12(2)28-19(33)11-34-18-7-4-13(9-16(18)22(23,24)25)20-30-21(32(3)31-20)29-15-5-6-17(27)14(8-15)10-26;1-13(2)25-20(31)12-32-19-7-4-14(8-15(19)10-23)21-27-22(30(3)29-21)26-17-5-6-18-16(9-17)11-24-28-18;1-13(2)24-20(30)12-31-17-6-7-18(14(3)9-17)21-26-22(29(4)28-21)25-16-5-8-19-15(10-16)11-23-27-19;1-13(2)24-20(30)12-31-19-8-5-15(9-14(19)3)21-26-22(29(4)28-21)25-17-6-7-18-16(10-17)11-23-27-18;1-3-22-21(30)29-10-8-14(9-11-29)19-25-20(28(2)27-19)24-17-7-6-16-15(12-23-26-16)18(17)13-4-5-13;1-3-18(29)28-10-8-14(9-11-28)20-24-21(27(2)26-20)23-17-7-6-16-15(12-22-25-16)19(17)13-4-5-13;1-3-26-18(31)14-6-4-11(9-15(14)20(21,22)23)17-28-19(30(2)29-17)27-13-5-7-16(25)12(8-13)10-24;1-4-21-19(28)12-5-7-15(17(10-12)29-3)18-24-20(27(2)26-18)23-14-6-8-16-13(9-14)11-22-25-16;1-4-21-19(28)13-5-7-16(12(2)9-13)18-24-20(27(3)26-18)23-15-6-8-17-14(10-15)11-22-25-17;1-4-21-19(28)16-7-5-13(9-12(16)2)18-24-20(27(3)26-18)23-15-6-8-17-14(10-15)11-22-25-17/h4-10,12,26H,11,27H2,1-3H3,(H,28,33)(H,29,30,31);4-9,11,13H,12H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);2*5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);6-8,12-13H,3-5,9-11H2,1-2H3,(H,22,30)(H,23,26)(H,24,25,27);6-8,12-13H,3-5,9-11H2,1-2H3,(H,22,25)(H,23,24,26);4-10,24H,3,25H2,1-2H3,(H,26,31)(H,27,28,29);5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26);2*5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26)/b26-10+;;;;;;24-10+;;;
InChIKeyHUASHLLCUSLRNC-WGDURBOLSA-N
XLogP32.46
TPSA1111.97 Ų
H-Bond Donors31
H-Bond Acceptors68
Rotatable Bonds61
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004116.63
LogP ≤ 532.46
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1068

Analyze 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide (CID 158587754) is 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C#N.CCC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.CCNC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(OC)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1C.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC(C)C.Cc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n(C)n1.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)c(C(F)(F)F)c3)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(OCC(=O)NC(C)C)c(C(F)(F)F)c3)nn2C)ccc1N.
What is the InChIKey of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide?
The InChIKey is HUASHLLCUSLRNC-WGDURBOLSA-N. The full InChI is InChI=1S/C22H24F3N7O2.C22H22N8O2.2C22H25N7O2.C21H26N8O.C21H25N7O.C20H20F3N7O.C20H21N7O2.2C20H21N7O/c1-12(2)28-19(33)11-34-18-7-4-13(9-16(18)22(23,24)25)20-30-21(32(3)31-20)29-15-5-6-17(27)14(8-15)10-26;1-13(2)25-20(31)12-32-19-7-4-14(8-15(19)10-23)21-27-22(30(3)29-21)26-17-5-6-18-16(9-17)11-24-28-18;1-13(2)24-20(30)12-31-17-6-7-18(14(3)9-17)21-26-22(29(4)28-21)25-16-5-8-19-15(10-16)11-23-27-19;1-13(2)24-20(30)12-31-19-8-5-15(9-14(19)3)21-26-22(29(4)28-21)25-17-6-7-18-16(10-17)11-23-27-18;1-3-22-21(30)29-10-8-14(9-11-29)19-25-20(28(2)27-19)24-17-7-6-16-15(12-23-26-16)18(17)13-4-5-13;1-3-18(29)28-10-8-14(9-11-28)20-24-21(27(2)26-20)23-17-7-6-16-15(12-22-25-16)19(17)13-4-5-13;1-3-26-18(31)14-6-4-11(9-15(14)20(21,22)23)17-28-19(30(2)29-17)27-13-5-7-16(25)12(8-13)10-24;1-4-21-19(28)12-5-7-15(17(10-12)29-3)18-24-20(27(2)26-18)23-14-6-8-16-13(9-14)11-22-25-16;1-4-21-19(28)13-5-7-16(12(2)9-13)18-24-20(27(3)26-18)23-15-6-8-17-14(10-15)11-22-25-17;1-4-21-19(28)16-7-5-13(9-12(16)2)18-24-20(27(3)26-18)23-15-6-8-17-14(10-15)11-22-25-17/h4-10,12,26H,11,27H2,1-3H3,(H,28,33)(H,29,30,31);4-9,11,13H,12H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);2*5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);6-8,12-13H,3-5,9-11H2,1-2H3,(H,22,30)(H,23,26)(H,24,25,27);6-8,12-13H,3-5,9-11H2,1-2H3,(H,22,25)(H,23,24,26);4-10,24H,3,25H2,1-2H3,(H,26,31)(H,27,28,29);5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26);2*5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26)/b26-10+;;;;;;24-10+;;;.
What are the key properties of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide?
4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide has a molecular weight of 4116.63 g/mol, XLogP of 32.46, 61 rotatable bonds, 31 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[2-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylbenzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 158587754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).