4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C156H145Cl8F6N57O15S — CID 161302455

IUPAC4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)N1CCCC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC#N.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)C(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC1(CO)CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NCC(F)(F)F.Cn1nc(-c2ccc(S(N)(=O)=O)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCNCC2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C22H22ClN7O3.C22H22ClN7O2.C21H19ClF3N7O2.C21H20ClN7O2.C20H17ClF3N7O2.C19H15ClN8O2.C16H14ClN7O2S.C15H16ClN7/c1-30-21(25-16-6-5-15-14(18(16)23)10-24-28-15)26-19(29-30)12-3-4-13(17(9-12)33-2)20(32)27-22(11-31)7-8-22;1-29-22(25-17-8-7-16-15(19(17)23)12-24-27-16)26-20(28-29)13-5-6-14(18(11-13)32-2)21(31)30-9-3-4-10-30;1-10(21(23,24)25)27-19(33)12-5-4-11(8-16(12)34-3)18-29-20(32(2)31-18)28-15-7-6-14-13(17(15)22)9-26-30-14;1-29-21(25-16-8-7-15-14(18(16)22)10-23-27-15)26-19(28-29)11-3-6-13(17(9-11)31-2)20(30)24-12-4-5-12;1-31-19(27-14-6-5-13-12(16(14)21)8-26-29-13)28-17(30-31)10-3-4-11(15(7-10)33-2)18(32)25-9-20(22,23)24;1-28-19(24-14-6-5-13-12(16(14)20)8-23-26-13)25-17(27-28)10-3-4-11(15(7-10)30-2)18(29)22-9-21;1-24-16(20-13-7-6-12-11(14(13)17)8-19-22-12)21-15(23-24)9-2-4-10(5-3-9)27(18,25)26;1-23-15(20-14(22-23)9-4-6-17-7-5-9)19-12-3-2-11-10(13(12)16)8-18-21-11/h3-6,9-10,31H,7-8,11H2,1-2H3,(H,24,28)(H,27,32)(H,25,26,29);5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,25,26,28);4-10H,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);3,6-10,12H,4-5H2,1-2H3,(H,23,27)(H,24,30)(H,25,26,28);3-8H,9H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);3-8H,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);2-8H,1H3,(H,19,22)(H2,18,25,26)(H,20,21,23);2-4,8,17H,5-7H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyVHUMBACVNZXGCK-UHFFFAOYSA-N
MW3487.94 g/mol
LogP27.02
Rot. Bonds42

About 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 161302455) has the molecular formula C156H145Cl8F6N57O15S and a molecular weight of 3487.94 g/mol. Its IUPAC name is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID161302455
Molecular FormulaC156H145Cl8F6N57O15S
Molecular Weight3487.94 g/mol
Exact Mass3481.95
IUPAC Name4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)N1CCCC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC#N.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)C(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC1(CO)CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NCC(F)(F)F.Cn1nc(-c2ccc(S(N)(=O)=O)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCNCC2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C22H22ClN7O3.C22H22ClN7O2.C21H19ClF3N7O2.C21H20ClN7O2.C20H17ClF3N7O2.C19H15ClN8O2.C16H14ClN7O2S.C15H16ClN7/c1-30-21(25-16-6-5-15-14(18(16)23)10-24-28-15)26-19(29-30)12-3-4-13(17(9-12)33-2)20(32)27-22(11-31)7-8-22;1-29-22(25-17-8-7-16-15(19(17)23)12-24-27-16)26-20(28-29)13-5-6-14(18(11-13)32-2)21(31)30-9-3-4-10-30;1-10(21(23,24)25)27-19(33)12-5-4-11(8-16(12)34-3)18-29-20(32(2)31-18)28-15-7-6-14-13(17(15)22)9-26-30-14;1-29-21(25-16-8-7-15-14(18(16)22)10-23-27-15)26-19(28-29)11-3-6-13(17(9-11)31-2)20(30)24-12-4-5-12;1-31-19(27-14-6-5-13-12(16(14)21)8-26-29-13)28-17(30-31)10-3-4-11(15(7-10)33-2)18(32)25-9-20(22,23)24;1-28-19(24-14-6-5-13-12(16(14)20)8-23-26-13)25-17(27-28)10-3-4-11(15(7-10)30-2)18(29)22-9-21;1-24-16(20-13-7-6-12-11(14(13)17)8-19-22-12)21-15(23-24)9-2-4-10(5-3-9)27(18,25)26;1-23-15(20-14(22-23)9-4-6-17-7-5-9)19-12-3-2-11-10(13(12)16)8-18-21-11/h3-6,9-10,31H,7-8,11H2,1-2H3,(H,24,28)(H,27,32)(H,25,26,29);5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,25,26,28);4-10H,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);3,6-10,12H,4-5H2,1-2H3,(H,23,27)(H,24,30)(H,25,26,28);3-8H,9H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);3-8H,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);2-8H,1H3,(H,19,22)(H2,18,25,26)(H,20,21,23);2-4,8,17H,5-7H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyVHUMBACVNZXGCK-UHFFFAOYSA-N
XLogP27.02
TPSA908.76 Ų
H-Bond Donors24
H-Bond Acceptors57
Rotatable Bonds42
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003487.94
LogP ≤ 527.02
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine with MolForge

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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]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 161302455) is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)N1CCCC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC#N.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)C(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC1(CO)CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC1CC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NCC(F)(F)F.Cn1nc(-c2ccc(S(N)(=O)=O)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCNCC2)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]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is VHUMBACVNZXGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O3.C22H22ClN7O2.C21H19ClF3N7O2.C21H20ClN7O2.C20H17ClF3N7O2.C19H15ClN8O2.C16H14ClN7O2S.C15H16ClN7/c1-30-21(25-16-6-5-15-14(18(16)23)10-24-28-15)26-19(29-30)12-3-4-13(17(9-12)33-2)20(32)27-22(11-31)7-8-22;1-29-22(25-17-8-7-16-15(19(17)23)12-24-27-16)26-20(28-29)13-5-6-14(18(11-13)32-2)21(31)30-9-3-4-10-30;1-10(21(23,24)25)27-19(33)12-5-4-11(8-16(12)34-3)18-29-20(32(2)31-18)28-15-7-6-14-13(17(15)22)9-26-30-14;1-29-21(25-16-8-7-15-14(18(16)22)10-23-27-15)26-19(28-29)11-3-6-13(17(9-11)31-2)20(30)24-12-4-5-12;1-31-19(27-14-6-5-13-12(16(14)21)8-26-29-13)28-17(30-31)10-3-4-11(15(7-10)33-2)18(32)25-9-20(22,23)24;1-28-19(24-14-6-5-13-12(16(14)20)8-23-26-13)25-17(27-28)10-3-4-11(15(7-10)30-2)18(29)22-9-21;1-24-16(20-13-7-6-12-11(14(13)17)8-19-22-12)21-15(23-24)9-2-4-10(5-3-9)27(18,25)26;1-23-15(20-14(22-23)9-4-6-17-7-5-9)19-12-3-2-11-10(13(12)16)8-18-21-11/h3-6,9-10,31H,7-8,11H2,1-2H3,(H,24,28)(H,27,32)(H,25,26,29);5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,25,26,28);4-10H,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);3,6-10,12H,4-5H2,1-2H3,(H,23,27)(H,24,30)(H,25,26,28);3-8H,9H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);3-8H,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);2-8H,1H3,(H,19,22)(H2,18,25,26)(H,20,21,23);2-4,8,17H,5-7H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 3487.94 g/mol, XLogP of 27.02, 42 rotatable bonds, 24 hydrogen bond donors, and 57 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]benzenesulfonamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyano-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-cyclopropyl-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methoxybenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 161302455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).