4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide

C190H188Cl8F3N65O13 — CID 158508023

IUPAC4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
SMILESCC(C)NC(=O)c1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1OC.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(Cl)c1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)C.Cn1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(C(=O)NC3CC3)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(C(=O)NCC(F)(F)F)c2)nc1Nc1ccc2[nH]ncc2c1Cl.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NC(C)C)c(OC)c3)nn2C)c1C1CC1.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NC4CN(C)C4)c(OC)c3)nn2C)c1Cl
InChIInChI=1S/C24H29N7O2.C23H25N7O2.C22H25ClN8O2.C22H17ClN8O.C21H22ClN7O2.C20H18ClN7O.C20H20ClN7O.C19H17Cl2N7O.C19H15ClF3N7O/c1-13(2)27-23(32)16-8-7-15(11-20(16)33-4)22-29-24(31(3)30-22)28-19-10-9-18(26)17(12-25)21(19)14-5-6-14;1-4-24-22(31)15-8-7-14(11-19(15)32-3)21-27-23(30(2)29-21)26-18-10-9-17-16(12-25-28-17)20(18)13-5-6-13;1-30-10-13(11-30)26-21(32)14-5-4-12(8-18(14)33-3)20-28-22(31(2)29-20)27-17-7-6-16(25)15(9-24)19(17)23;1-31-22(26-17-10-9-16-15(19(17)23)12-25-29-16)28-20(30-31)13-5-7-14(8-6-13)21(32)27-18-4-2-3-11-24-18;1-11(2)24-20(30)13-6-5-12(9-17(13)31-4)19-26-21(29(3)28-19)25-16-8-7-15-14(18(16)22)10-23-27-15;1-28-20(24-16-8-7-15-14(17(16)21)10-22-26-15)25-18(27-28)11-3-2-4-12(9-11)19(29)23-13-5-6-13;1-11(2)23-19(29)13-6-4-5-12(9-13)18-25-20(28(3)27-18)24-16-8-7-15-14(17(16)21)10-22-26-15;1-3-22-18(29)10-4-5-11(13(20)8-10)17-25-19(28(2)27-17)24-15-7-6-14-12(16(15)21)9-23-26-14;1-30-18(26-14-6-5-13-12(15(14)20)8-25-28-13)27-16(29-30)10-3-2-4-11(7-10)17(31)24-9-19(21,22)23/h7-14,25H,5-6,26H2,1-4H3,(H,27,32)(H,28,29,30);7-13H,4-6H2,1-3H3,(H,24,31)(H,25,28)(H,26,27,29);4-9,13,24H,10-11,25H2,1-3H3,(H,26,32)(H,27,28,29);2-12H,1H3,(H,25,29)(H,24,27,32)(H,26,28,30);5-11H,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);2-4,7-10,13H,5-6H2,1H3,(H,22,26)(H,23,29)(H,24,25,27);4-11H,1-3H3,(H,22,26)(H,23,29)(H,24,25,27);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);2-8H,9H2,1H3,(H,24,31)(H,25,28)(H,26,27,29)/b25-12+;;24-9+;;;;;;
InChIKeyHKRUIRWDUYXGGE-XPXHAJTISA-N
MW3930.65 g/mol
LogP34.13
Rot. Bonds53

About 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide

4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide (PubChem CID 158508023) has the molecular formula C190H188Cl8F3N65O13 and a molecular weight of 3930.65 g/mol. Its IUPAC name is 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound Name4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
PubChem CID158508023
Molecular FormulaC190H188Cl8F3N65O13
Molecular Weight3930.65 g/mol
Exact Mass3924.35
IUPAC Name4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
SMILESCC(C)NC(=O)c1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1OC.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(Cl)c1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)C.Cn1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(C(=O)NC3CC3)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(C(=O)NCC(F)(F)F)c2)nc1Nc1ccc2[nH]ncc2c1Cl.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NC(C)C)c(OC)c3)nn2C)c1C1CC1.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NC4CN(C)C4)c(OC)c3)nn2C)c1Cl
InChIInChI=1S/C24H29N7O2.C23H25N7O2.C22H25ClN8O2.C22H17ClN8O.C21H22ClN7O2.C20H18ClN7O.C20H20ClN7O.C19H17Cl2N7O.C19H15ClF3N7O/c1-13(2)27-23(32)16-8-7-15(11-20(16)33-4)22-29-24(31(3)30-22)28-19-10-9-18(26)17(12-25)21(19)14-5-6-14;1-4-24-22(31)15-8-7-14(11-19(15)32-3)21-27-23(30(2)29-21)26-18-10-9-17-16(12-25-28-17)20(18)13-5-6-13;1-30-10-13(11-30)26-21(32)14-5-4-12(8-18(14)33-3)20-28-22(31(2)29-20)27-17-7-6-16(25)15(9-24)19(17)23;1-31-22(26-17-10-9-16-15(19(17)23)12-25-29-16)28-20(30-31)13-5-7-14(8-6-13)21(32)27-18-4-2-3-11-24-18;1-11(2)24-20(30)13-6-5-12(9-17(13)31-4)19-26-21(29(3)28-19)25-16-8-7-15-14(18(16)22)10-23-27-15;1-28-20(24-16-8-7-15-14(17(16)21)10-22-26-15)25-18(27-28)11-3-2-4-12(9-11)19(29)23-13-5-6-13;1-11(2)23-19(29)13-6-4-5-12(9-13)18-25-20(28(3)27-18)24-16-8-7-15-14(17(16)21)10-22-26-15;1-3-22-18(29)10-4-5-11(13(20)8-10)17-25-19(28(2)27-17)24-15-7-6-14-12(16(15)21)9-23-26-14;1-30-18(26-14-6-5-13-12(15(14)20)8-25-28-13)27-16(29-30)10-3-2-4-11(7-10)17(31)24-9-19(21,22)23/h7-14,25H,5-6,26H2,1-4H3,(H,27,32)(H,28,29,30);7-13H,4-6H2,1-3H3,(H,24,31)(H,25,28)(H,26,27,29);4-9,13,24H,10-11,25H2,1-3H3,(H,26,32)(H,27,28,29);2-12H,1H3,(H,25,29)(H,24,27,32)(H,26,28,30);5-11H,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);2-4,7-10,13H,5-6H2,1H3,(H,22,26)(H,23,29)(H,24,25,27);4-11H,1-3H3,(H,22,26)(H,23,29)(H,24,25,27);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);2-8H,9H2,1H3,(H,24,31)(H,25,28)(H,26,27,29)/b25-12+;;24-9+;;;;;;
InChIKeyHKRUIRWDUYXGGE-XPXHAJTISA-N
XLogP34.13
TPSA1000.11 Ų
H-Bond Donors29
H-Bond Acceptors62
Rotatable Bonds53
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003930.65
LogP ≤ 534.13
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1062

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide?
The IUPAC name of 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide (CID 158508023) is 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide?
The canonical SMILES for 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide is CC(C)NC(=O)c1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1OC.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(Cl)c1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)NC(C)C.Cn1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(C(=O)NC3CC3)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(C(=O)NCC(F)(F)F)c2)nc1Nc1ccc2[nH]ncc2c1Cl.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NC(C)C)c(OC)c3)nn2C)c1C1CC1.[H]/N=C/c1c(N)ccc(Nc2nc(-c3ccc(C(=O)NC4CN(C)C4)c(OC)c3)nn2C)c1Cl.
What is the InChIKey of 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide?
The InChIKey is HKRUIRWDUYXGGE-XPXHAJTISA-N. The full InChI is InChI=1S/C24H29N7O2.C23H25N7O2.C22H25ClN8O2.C22H17ClN8O.C21H22ClN7O2.C20H18ClN7O.C20H20ClN7O.C19H17Cl2N7O.C19H15ClF3N7O/c1-13(2)27-23(32)16-8-7-15(11-20(16)33-4)22-29-24(31(3)30-22)28-19-10-9-18(26)17(12-25)21(19)14-5-6-14;1-4-24-22(31)15-8-7-14(11-19(15)32-3)21-27-23(30(2)29-21)26-18-10-9-17-16(12-25-28-17)20(18)13-5-6-13;1-30-10-13(11-30)26-21(32)14-5-4-12(8-18(14)33-3)20-28-22(31(2)29-20)27-17-7-6-16(25)15(9-24)19(17)23;1-31-22(26-17-10-9-16-15(19(17)23)12-25-29-16)28-20(30-31)13-5-7-14(8-6-13)21(32)27-18-4-2-3-11-24-18;1-11(2)24-20(30)13-6-5-12(9-17(13)31-4)19-26-21(29(3)28-19)25-16-8-7-15-14(18(16)22)10-23-27-15;1-28-20(24-16-8-7-15-14(17(16)21)10-22-26-15)25-18(27-28)11-3-2-4-12(9-11)19(29)23-13-5-6-13;1-11(2)23-19(29)13-6-4-5-12(9-13)18-25-20(28(3)27-18)24-16-8-7-15-14(17(16)21)10-22-26-15;1-3-22-18(29)10-4-5-11(13(20)8-10)17-25-19(28(2)27-17)24-15-7-6-14-12(16(15)21)9-23-26-14;1-30-18(26-14-6-5-13-12(15(14)20)8-25-28-13)27-16(29-30)10-3-2-4-11(7-10)17(31)24-9-19(21,22)23/h7-14,25H,5-6,26H2,1-4H3,(H,27,32)(H,28,29,30);7-13H,4-6H2,1-3H3,(H,24,31)(H,25,28)(H,26,27,29);4-9,13,24H,10-11,25H2,1-3H3,(H,26,32)(H,27,28,29);2-12H,1H3,(H,25,29)(H,24,27,32)(H,26,28,30);5-11H,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);2-4,7-10,13H,5-6H2,1H3,(H,22,26)(H,23,29)(H,24,25,27);4-11H,1-3H3,(H,22,26)(H,23,29)(H,24,25,27);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);2-8H,9H2,1H3,(H,24,31)(H,25,28)(H,26,27,29)/b25-12+;;24-9+;;;;;;.
What are the key properties of 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide?
4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide has a molecular weight of 3930.65 g/mol, XLogP of 34.13, 53 rotatable bonds, 29 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-2-chloro-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-(4-amino-2-cyclopropyl-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;3-[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]-2-methoxy-N-propan-2-ylbenzamide;3-[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-methyl-1,2,4-triazol-3-yl]-N-pyridin-2-ylbenzamide;3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 158508023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).