4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide

C202H219F10N63O11 — CID 158834896

IUPAC4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NC4CC4)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(C)(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NC4CCC(F)(F)C4)cc3)nn2C)ccc2[nH]ncc12.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NCC(C)C)cc3)nn2C)c1CC
InChIInChI=1S/C24H29N7O.C23H23F2N7O.C23H25N7O2.C23H29N7O.C22H22F3N7O2.C22H22F3N7O.C22H23N7O.C22H25N7O.C21H21F2N7O/c1-6-17-18-13-26-29-20(18)12-11-19(17)27-23-28-21(30-31(23)5)15-7-9-16(10-8-15)22(32)25-14-24(2,3)4;1-13-17-12-26-30-19(17)8-7-18(13)28-22-29-20(31-32(22)2)14-3-5-15(6-4-14)21(33)27-16-9-10-23(24,25)11-16;1-4-15-17-12-24-28-19(17)10-9-18(15)26-23-27-21(29-30(23)2)13-5-8-16(20(11-13)32-3)22(31)25-14-6-7-14;1-5-17-18(12-24)19(25)10-11-20(17)27-23-28-21(29-30(23)4)15-6-8-16(9-7-15)22(31)26-13-14(2)3;1-4-13-15-10-27-30-17(15)8-7-16(13)28-21-29-19(31-32(21)2)12-5-6-14(18(9-12)34-3)20(33)26-11-22(23,24)25;1-4-15-16-11-26-30-18(16)10-9-17(15)28-21-29-19(31-32(21)3)13-5-7-14(8-6-13)20(33)27-12(2)22(23,24)25;1-3-23-21(30)15-8-6-14(7-9-15)20-26-22(29(2)28-20)25-18-11-10-17-16(12-24-27-17)19(18)13-4-5-13;1-5-16-17-12-23-27-19(17)11-10-18(16)25-22-26-20(28-29(22)4)14-6-8-15(9-7-14)21(30)24-13(2)3;1-3-14-15-10-25-28-17(15)9-8-16(14)26-21-27-19(29-30(21)2)12-4-6-13(7-5-12)20(31)24-11-18(22)23/h7-13H,6,14H2,1-5H3,(H,25,32)(H,26,29)(H,27,28,30);3-8,12,16H,9-11H2,1-2H3,(H,26,30)(H,27,33)(H,28,29,31);5,8-12,14H,4,6-7H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);6-12,14,24H,5,13,25H2,1-4H3,(H,26,31)(H,27,28,29);5-10H,4,11H2,1-3H3,(H,26,33)(H,27,30)(H,28,29,31);5-12H,4H2,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);6-13H,3-5H2,1-2H3,(H,23,30)(H,24,27)(H,25,26,28);6-13H,5H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,18H,3,11H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29)/b;;;24-12+;;;;;
InChIKeyIXMWXKOIRYMYNZ-RQXBASOGSA-N
MW3895.38 g/mol
LogP35.59
Rot. Bonds58

About 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide

4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide (PubChem CID 158834896) has the molecular formula C202H219F10N63O11 and a molecular weight of 3895.38 g/mol. Its IUPAC name is 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
PubChem CID158834896
Molecular FormulaC202H219F10N63O11
Molecular Weight3895.38 g/mol
Exact Mass3892.84
IUPAC Name4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NC4CC4)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(C)(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NC4CCC(F)(F)C4)cc3)nn2C)ccc2[nH]ncc12.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NCC(C)C)cc3)nn2C)c1CC
InChIInChI=1S/C24H29N7O.C23H23F2N7O.C23H25N7O2.C23H29N7O.C22H22F3N7O2.C22H22F3N7O.C22H23N7O.C22H25N7O.C21H21F2N7O/c1-6-17-18-13-26-29-20(18)12-11-19(17)27-23-28-21(30-31(23)5)15-7-9-16(10-8-15)22(32)25-14-24(2,3)4;1-13-17-12-26-30-19(17)8-7-18(13)28-22-29-20(31-32(22)2)14-3-5-15(6-4-14)21(33)27-16-9-10-23(24,25)11-16;1-4-15-17-12-24-28-19(17)10-9-18(15)26-23-27-21(29-30(23)2)13-5-8-16(20(11-13)32-3)22(31)25-14-6-7-14;1-5-17-18(12-24)19(25)10-11-20(17)27-23-28-21(29-30(23)4)15-6-8-16(9-7-15)22(31)26-13-14(2)3;1-4-13-15-10-27-30-17(15)8-7-16(13)28-21-29-19(31-32(21)2)12-5-6-14(18(9-12)34-3)20(33)26-11-22(23,24)25;1-4-15-16-11-26-30-18(16)10-9-17(15)28-21-29-19(31-32(21)3)13-5-7-14(8-6-13)20(33)27-12(2)22(23,24)25;1-3-23-21(30)15-8-6-14(7-9-15)20-26-22(29(2)28-20)25-18-11-10-17-16(12-24-27-17)19(18)13-4-5-13;1-5-16-17-12-23-27-19(17)11-10-18(16)25-22-26-20(28-29(22)4)14-6-8-15(9-7-14)21(30)24-13(2)3;1-3-14-15-10-25-28-17(15)9-8-16(14)26-21-27-19(29-30(21)2)12-4-6-13(7-5-12)20(31)24-11-18(22)23/h7-13H,6,14H2,1-5H3,(H,25,32)(H,26,29)(H,27,28,30);3-8,12,16H,9-11H2,1-2H3,(H,26,30)(H,27,33)(H,28,29,31);5,8-12,14H,4,6-7H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);6-12,14,24H,5,13,25H2,1-4H3,(H,26,31)(H,27,28,29);5-10H,4,11H2,1-3H3,(H,26,33)(H,27,30)(H,28,29,31);5-12H,4H2,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);6-13H,3-5H2,1-2H3,(H,23,30)(H,24,27)(H,25,26,28);6-13H,5H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,18H,3,11H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29)/b;;;24-12+;;;;;
InChIKeyIXMWXKOIRYMYNZ-RQXBASOGSA-N
XLogP35.59
TPSA944.33 Ų
H-Bond Donors28
H-Bond Acceptors57
Rotatable Bonds58
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003895.38
LogP ≤ 535.59
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1057

Analyze 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The IUPAC name of 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide (CID 158834896) is 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide.
What is the SMILES notation for 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The canonical SMILES for 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide is CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NC4CC4)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(C)(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NC4CCC(F)(F)C4)cc3)nn2C)ccc2[nH]ncc12.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NCC(C)C)cc3)nn2C)c1CC.
What is the InChIKey of 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The InChIKey is IXMWXKOIRYMYNZ-RQXBASOGSA-N. The full InChI is InChI=1S/C24H29N7O.C23H23F2N7O.C23H25N7O2.C23H29N7O.C22H22F3N7O2.C22H22F3N7O.C22H23N7O.C22H25N7O.C21H21F2N7O/c1-6-17-18-13-26-29-20(18)12-11-19(17)27-23-28-21(30-31(23)5)15-7-9-16(10-8-15)22(32)25-14-24(2,3)4;1-13-17-12-26-30-19(17)8-7-18(13)28-22-29-20(31-32(22)2)14-3-5-15(6-4-14)21(33)27-16-9-10-23(24,25)11-16;1-4-15-17-12-24-28-19(17)10-9-18(15)26-23-27-21(29-30(23)2)13-5-8-16(20(11-13)32-3)22(31)25-14-6-7-14;1-5-17-18(12-24)19(25)10-11-20(17)27-23-28-21(29-30(23)4)15-6-8-16(9-7-15)22(31)26-13-14(2)3;1-4-13-15-10-27-30-17(15)8-7-16(13)28-21-29-19(31-32(21)2)12-5-6-14(18(9-12)34-3)20(33)26-11-22(23,24)25;1-4-15-16-11-26-30-18(16)10-9-17(15)28-21-29-19(31-32(21)3)13-5-7-14(8-6-13)20(33)27-12(2)22(23,24)25;1-3-23-21(30)15-8-6-14(7-9-15)20-26-22(29(2)28-20)25-18-11-10-17-16(12-24-27-17)19(18)13-4-5-13;1-5-16-17-12-23-27-19(17)11-10-18(16)25-22-26-20(28-29(22)4)14-6-8-15(9-7-14)21(30)24-13(2)3;1-3-14-15-10-25-28-17(15)9-8-16(14)26-21-27-19(29-30(21)2)12-4-6-13(7-5-12)20(31)24-11-18(22)23/h7-13H,6,14H2,1-5H3,(H,25,32)(H,26,29)(H,27,28,30);3-8,12,16H,9-11H2,1-2H3,(H,26,30)(H,27,33)(H,28,29,31);5,8-12,14H,4,6-7H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);6-12,14,24H,5,13,25H2,1-4H3,(H,26,31)(H,27,28,29);5-10H,4,11H2,1-3H3,(H,26,33)(H,27,30)(H,28,29,31);5-12H,4H2,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);6-13H,3-5H2,1-2H3,(H,23,30)(H,24,27)(H,25,26,28);6-13H,5H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,18H,3,11H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29)/b;;;24-12+;;;;;.
What are the key properties of 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide has a molecular weight of 3895.38 g/mol, XLogP of 35.59, 58 rotatable bonds, 28 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-2-ethyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;N-cyclopropyl-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 158834896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).