N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide

C173H186Cl5F3N56O17 — CID 159052485

IUPACN-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cc1OC.CNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(CCO)n2)ccc1C(=O)NC(C)C
InChIInChI=1S/C23H26ClN7O2.C22H21ClF3N7O2.C22H24ClN7O3.C22H24ClN7O2.2C22H25N7O2.C21H23N7O2.C19H18ClN7O2/c1-12(2)26-22(32)15-7-6-14(10-19(15)33-5)21-28-23(31(30-21)13(3)4)27-18-9-8-17-16(20(18)24)11-25-29-17;1-11(2)33-21(29-16-7-6-15-14(18(16)23)9-28-31-15)30-19(32-33)12-4-5-13(17(8-12)35-3)20(34)27-10-22(24,25)26;1-12(2)25-21(32)14-5-4-13(10-18(14)33-3)20-27-22(30(29-20)8-9-31)26-17-7-6-16-15(19(17)23)11-24-28-16;1-22(2,3)27-20(31)13-7-6-12(10-17(13)32-5)19-26-21(30(4)29-19)25-16-9-8-15-14(18(16)23)11-24-28-15;1-22(2,3)26-20(30)16-8-6-13(11-18(16)31-5)19-25-21(29(4)28-19)24-15-7-9-17-14(10-15)12-23-27-17;1-12(2)24-21(30)15-7-6-14(10-19(15)31-5)20-26-22(29(4)28-20)25-17-8-9-18-16(13(17)3)11-23-27-18;1-5-22-20(29)14-7-6-13(10-18(14)30-4)19-25-21(28(3)27-19)24-16-8-9-17-15(12(16)2)11-23-26-17;1-21-18(28)11-5-4-10(8-15(11)29-3)17-24-19(27(2)26-17)23-14-7-6-13-12(16(14)20)9-22-25-13/h6-13H,1-5H3,(H,25,29)(H,26,32)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,27,34)(H,28,31)(H,29,30,32);4-7,10-12,31H,8-9H2,1-3H3,(H,24,28)(H,25,32)(H,26,27,29);6-11H,1-5H3,(H,24,28)(H,27,31)(H,25,26,29);6-12H,1-5H3,(H,23,27)(H,26,30)(H,24,25,28);6-12H,1-5H3,(H,23,27)(H,24,30)(H,25,26,28);6-11H,5H2,1-4H3,(H,22,29)(H,23,26)(H,24,25,27);4-9H,1-3H3,(H,21,28)(H,22,25)(H,23,24,26)
InChIKeyJXLCDDPUGHHJQN-UHFFFAOYSA-N
MW3556.02 g/mol
LogP31.18
Rot. Bonds49

About N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide

N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 159052485) has the molecular formula C173H186Cl5F3N56O17 and a molecular weight of 3556.02 g/mol. Its IUPAC name is N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID159052485
Molecular FormulaC173H186Cl5F3N56O17
Molecular Weight3556.02 g/mol
Exact Mass3551.38
IUPAC NameN-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cc1OC.CNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(CCO)n2)ccc1C(=O)NC(C)C
InChIInChI=1S/C23H26ClN7O2.C22H21ClF3N7O2.C22H24ClN7O3.C22H24ClN7O2.2C22H25N7O2.C21H23N7O2.C19H18ClN7O2/c1-12(2)26-22(32)15-7-6-14(10-19(15)33-5)21-28-23(31(30-21)13(3)4)27-18-9-8-17-16(20(18)24)11-25-29-17;1-11(2)33-21(29-16-7-6-15-14(18(16)23)9-28-31-15)30-19(32-33)12-4-5-13(17(8-12)35-3)20(34)27-10-22(24,25)26;1-12(2)25-21(32)14-5-4-13(10-18(14)33-3)20-27-22(30(29-20)8-9-31)26-17-7-6-16-15(19(17)23)11-24-28-16;1-22(2,3)27-20(31)13-7-6-12(10-17(13)32-5)19-26-21(30(4)29-19)25-16-9-8-15-14(18(16)23)11-24-28-15;1-22(2,3)26-20(30)16-8-6-13(11-18(16)31-5)19-25-21(29(4)28-19)24-15-7-9-17-14(10-15)12-23-27-17;1-12(2)24-21(30)15-7-6-14(10-19(15)31-5)20-26-22(29(4)28-20)25-17-8-9-18-16(13(17)3)11-23-27-18;1-5-22-20(29)14-7-6-13(10-18(14)30-4)19-25-21(28(3)27-19)24-16-8-9-17-15(12(16)2)11-23-26-17;1-21-18(28)11-5-4-10(8-15(11)29-3)17-24-19(27(2)26-17)23-14-7-6-13-12(16(14)20)9-22-25-13/h6-13H,1-5H3,(H,25,29)(H,26,32)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,27,34)(H,28,31)(H,29,30,32);4-7,10-12,31H,8-9H2,1-3H3,(H,24,28)(H,25,32)(H,26,27,29);6-11H,1-5H3,(H,24,28)(H,27,31)(H,25,26,29);6-12H,1-5H3,(H,23,27)(H,26,30)(H,24,25,28);6-12H,1-5H3,(H,23,27)(H,24,30)(H,25,26,28);6-11H,5H2,1-4H3,(H,22,29)(H,23,26)(H,24,25,27);4-9H,1-3H3,(H,21,28)(H,22,25)(H,23,24,26)
InChIKeyJXLCDDPUGHHJQN-UHFFFAOYSA-N
XLogP31.18
TPSA898.23 Ų
H-Bond Donors25
H-Bond Acceptors57
Rotatable Bonds49
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003556.02
LogP ≤ 531.18
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1057

Analyze N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139348472
4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[[1-(oxan-2-yl)indazol-5-yl]amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 139354180
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
CID 139365578
4-[5-[[4-chloro-1-[1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-6-methoxycyclohexa-1,3-diene-1-carbonyl]pyrrolidin-2-yl]indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365582
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
CID 139365745
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365788
4-[5-[(6-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365833
4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365838
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
CID 139366011
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)-2-methoxybenzamide
CID 139366016
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 155792087
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 155792153

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide (CID 159052485) is N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide is CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cc1OC.CNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NC(C)(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(CCO)n2)ccc1C(=O)NC(C)C.
What is the InChIKey of N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is JXLCDDPUGHHJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O2.C22H21ClF3N7O2.C22H24ClN7O3.C22H24ClN7O2.2C22H25N7O2.C21H23N7O2.C19H18ClN7O2/c1-12(2)26-22(32)15-7-6-14(10-19(15)33-5)21-28-23(31(30-21)13(3)4)27-18-9-8-17-16(20(18)24)11-25-29-17;1-11(2)33-21(29-16-7-6-15-14(18(16)23)9-28-31-15)30-19(32-33)12-4-5-13(17(8-12)35-3)20(34)27-10-22(24,25)26;1-12(2)25-21(32)14-5-4-13(10-18(14)33-3)20-27-22(30(29-20)8-9-31)26-17-7-6-16-15(19(17)23)11-24-28-16;1-22(2,3)27-20(31)13-7-6-12(10-17(13)32-5)19-26-21(30(4)29-19)25-16-9-8-15-14(18(16)23)11-24-28-15;1-22(2,3)26-20(30)16-8-6-13(11-18(16)31-5)19-25-21(29(4)28-19)24-15-7-9-17-14(10-15)12-23-27-17;1-12(2)24-21(30)15-7-6-14(10-19(15)31-5)20-26-22(29(4)28-20)25-17-8-9-18-16(13(17)3)11-23-27-18;1-5-22-20(29)14-7-6-13(10-18(14)30-4)19-25-21(28(3)27-19)24-16-8-9-17-15(12(16)2)11-23-26-17;1-21-18(28)11-5-4-10(8-15(11)29-3)17-24-19(27(2)26-17)23-14-7-6-13-12(16(14)20)9-22-25-13/h6-13H,1-5H3,(H,25,29)(H,26,32)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,27,34)(H,28,31)(H,29,30,32);4-7,10-12,31H,8-9H2,1-3H3,(H,24,28)(H,25,32)(H,26,27,29);6-11H,1-5H3,(H,24,28)(H,27,31)(H,25,26,29);6-12H,1-5H3,(H,23,27)(H,26,30)(H,24,25,28);6-12H,1-5H3,(H,23,27)(H,24,30)(H,25,26,28);6-11H,5H2,1-4H3,(H,22,29)(H,23,26)(H,24,25,27);4-9H,1-3H3,(H,21,28)(H,22,25)(H,23,24,26).
What are the key properties of N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 3556.02 g/mol, XLogP of 31.18, 49 rotatable bonds, 25 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;N-tert-butyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-(2-hydroxyethyl)-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]-2-methoxy-N-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 159052485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).