4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide

C144H143Cl4F4N49O10 — CID 161473938

About 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 161473938) has the molecular formula C144H143Cl4F4N49O10 and a molecular weight of 2937.86 g/mol. Its IUPAC name is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide
• PubChem CID: 161473938
• Molecular Formula: C144H143Cl4F4N49O10
• Molecular Weight: 2937.86 g/mol
• Exact Mass: 2934.09
• IUPAC Name: 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide
• SMILES: CC(C)NC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1OC.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)cc1OC.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.Cc1cc(-c2nc(Nc3cc4cn[nH]c4cc3F)n(C)n2)ccc1C(=O)NCC(F)(F)F.Cn1nc(-c2ccc(C(=O)NC3CC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3CCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl
• InChI: InChI=1S/C22H24ClN7O2.C21H20ClN7O.C21H23N7O2.C20H18ClN7O.C20H20ClN7O.C20H17F4N7O.C20H21N7O2/c1-5-24-21(31)14-7-6-13(10-18(14)32-4)20-27-22(30(29-20)12(2)3)26-17-9-8-16-15(19(17)23)11-25-28-16;1-29-21(25-17-10-9-16-15(18(17)22)11-23-27-16)26-19(28-29)12-5-7-13(8-6-12)20(30)24-14-3-2-4-14;1-12(2)23-20(29)16-7-5-13(10-18(16)30-4)19-25-21(28(3)27-19)24-15-6-8-17-14(9-15)11-22-26-17;1-28-20(24-16-9-8-15-14(17(16)21)10-22-26-15)25-18(27-28)11-2-4-12(5-3-11)19(29)23-13-6-7-13;1-11(2)23-19(29)13-6-4-12(5-7-13)18-25-20(28(3)27-18)24-16-9-8-15-14(17(16)21)10-22-26-15;1-10-5-11(3-4-13(10)18(32)25-9-20(22,23)24)17-28-19(31(2)30-17)27-16-6-12-8-26-29-15(12)7-14(16)21;1-4-21-19(28)15-7-5-12(10-17(15)29-3)18-24-20(27(2)26-18)23-14-6-8-16-13(9-14)11-22-25-16/h6-12H,5H2,1-4H3,(H,24,31)(H,25,28)(H,26,27,29);5-11,14H,2-4H2,1H3,(H,23,27)(H,24,30)(H,25,26,28);5-12H,1-4H3,(H,22,26)(H,23,29)(H,24,25,27);2-5,8-10,13H,6-7H2,1H3,(H,22,26)(H,23,29)(H,24,25,27);4-11H,1-3H3,(H,22,26)(H,23,29)(H,24,25,27);3-8H,9H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26)
• InChIKey: WDLQEJVMGYHJSY-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 731.33 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 45
• Rotatable Bonds: 39
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2937.86
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide?

The IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide (CID 161473938) is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide.

What is the SMILES notation for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide?

The canonical SMILES for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1OC.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)cc1OC.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)C.Cc1cc(-c2nc(Nc3cc4cn[nH]c4cc3F)n(C)n2)ccc1C(=O)NCC(F)(F)F.Cn1nc(-c2ccc(C(=O)NC3CC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3CCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.

What is the InChIKey of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide?

The InChIKey is WDLQEJVMGYHJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O2.C21H20ClN7O.C21H23N7O2.C20H18ClN7O.C20H20ClN7O.C20H17F4N7O.C20H21N7O2/c1-5-24-21(31)14-7-6-13(10-18(14)32-4)20-27-22(30(29-20)12(2)3)26-17-9-8-16-15(19(17)23)11-25-28-16;1-29-21(25-17-10-9-16-15(18(17)22)11-23-27-16)26-19(28-29)12-5-7-13(8-6-12)20(30)24-14-3-2-4-14;1-12(2)23-20(29)16-7-5-13(10-18(16)30-4)19-25-21(28(3)27-19)24-15-6-8-17-14(9-15)11-22-26-17;1-28-20(24-16-9-8-15-14(17(16)21)10-22-26-15)25-18(27-28)11-2-4-12(5-3-11)19(29)23-13-6-7-13;1-11(2)23-19(29)13-6-4-12(5-7-13)18-25-20(28(3)27-18)24-16-9-8-15-14(17(16)21)10-22-26-15;1-10-5-11(3-4-13(10)18(32)25-9-20(22,23)24)17-28-19(31(2)30-17)27-16-6-12-8-26-29-15(12)7-14(16)21;1-4-21-19(28)15-7-5-12(10-17(15)29-3)18-24-20(27(2)26-18)23-14-6-8-16-13(9-14)11-22-25-16/h6-12H,5H2,1-4H3,(H,24,31)(H,25,28)(H,26,27,29);5-11,14H,2-4H2,1H3,(H,23,27)(H,24,30)(H,25,26,28);5-12H,1-4H3,(H,22,26)(H,23,29)(H,24,25,27);2-5,8-10,13H,6-7H2,1H3,(H,22,26)(H,23,29)(H,24,25,27);4-11H,1-3H3,(H,22,26)(H,23,29)(H,24,25,27);3-8H,9H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);5-11H,4H2,1-3H3,(H,21,28)(H,22,25)(H,23,24,26).

What are the key properties of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide?

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 2937.86 g/mol, XLogP of 26.09, 39 rotatable bonds, 21 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclobutylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 161473938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).