4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide

C185H187ClF12N64O15 — CID 157432386

IUPAC4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C#N)c1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(Cl)c1.CCNC(=O)c1c(F)cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C(F)(F)F)c1.COc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n(C)n1.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)cc3F)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(OCC(=O)NC(C)C)cc3F)nn2C)ccc1N
InChIInChI=1S/C22H22F3N7O2.C22H22N8O2.C22H25N7O3.C21H22ClN7O2.C21H24FN7O2.C20H18F3N7O.2C19H17F2N7O.C19H20FN7O/c1-12(2)27-19(33)11-34-15-5-6-16(17(9-15)22(23,24)25)20-29-21(32(3)31-20)28-14-4-7-18-13(8-14)10-26-30-18;1-13(2)25-20(31)12-32-17-5-6-18(14(9-17)10-23)21-27-22(30(3)29-21)26-16-4-7-19-15(8-16)11-24-28-19;1-13(2)24-20(30)12-32-16-6-7-17(19(10-16)31-4)21-26-22(29(3)28-21)25-15-5-8-18-14(9-15)11-23-27-18;1-12(2)24-19(30)11-31-15-5-6-16(17(22)9-15)20-26-21(29(3)28-20)25-14-4-7-18-13(8-14)10-23-27-18;1-12(2)25-19(30)11-31-15-5-6-16(17(22)9-15)20-27-21(29(3)28-20)26-14-4-7-18(24)13(8-14)10-23;1-3-24-18(31)11-4-6-14(15(9-11)20(21,22)23)17-27-19(30(2)29-17)26-13-5-7-16-12(8-13)10-25-28-16;1-3-22-18(29)16-13(20)7-10(8-14(16)21)17-25-19(28(2)27-17)24-12-4-5-15-11(6-12)9-23-26-15;1-3-22-18(29)13-8-14(20)12(7-15(13)21)17-25-19(28(2)27-17)24-11-4-5-16-10(6-11)9-23-26-16;1-3-23-18(28)11-4-6-14(15(20)9-11)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21/h4-10,12H,11H2,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);4-9,11,13H,12H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,12H,11H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,12,23H,11,24H2,1-3H3,(H,25,30)(H,26,27,28);4-10H,3H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);2*4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);4-10,21H,3,22H2,1-2H3,(H,23,28)(H,24,25,26)/b;;;;23-10+;;;;21-10+
InChIKeyBQRRVMAVRLVIFW-JHEXPABKSA-N
MW3810.39 g/mol
LogP29.25
Rot. Bonds58

About 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide

4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 157432386) has the molecular formula C185H187ClF12N64O15 and a molecular weight of 3810.39 g/mol. Its IUPAC name is 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID157432386
Molecular FormulaC185H187ClF12N64O15
Molecular Weight3810.39 g/mol
Exact Mass3807.53
IUPAC Name4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C#N)c1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(Cl)c1.CCNC(=O)c1c(F)cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C(F)(F)F)c1.COc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n(C)n1.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)cc3F)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(OCC(=O)NC(C)C)cc3F)nn2C)ccc1N
InChIInChI=1S/C22H22F3N7O2.C22H22N8O2.C22H25N7O3.C21H22ClN7O2.C21H24FN7O2.C20H18F3N7O.2C19H17F2N7O.C19H20FN7O/c1-12(2)27-19(33)11-34-15-5-6-16(17(9-15)22(23,24)25)20-29-21(32(3)31-20)28-14-4-7-18-13(8-14)10-26-30-18;1-13(2)25-20(31)12-32-17-5-6-18(14(9-17)10-23)21-27-22(30(3)29-21)26-16-4-7-19-15(8-16)11-24-28-19;1-13(2)24-20(30)12-32-16-6-7-17(19(10-16)31-4)21-26-22(29(3)28-21)25-15-5-8-18-14(9-15)11-23-27-18;1-12(2)24-19(30)11-31-15-5-6-16(17(22)9-15)20-26-21(29(3)28-20)25-14-4-7-18-13(8-14)10-23-27-18;1-12(2)25-19(30)11-31-15-5-6-16(17(22)9-15)20-27-21(29(3)28-20)26-14-4-7-18(24)13(8-14)10-23;1-3-24-18(31)11-4-6-14(15(9-11)20(21,22)23)17-27-19(30(2)29-17)26-13-5-7-16-12(8-13)10-25-28-16;1-3-22-18(29)16-13(20)7-10(8-14(16)21)17-25-19(28(2)27-17)24-12-4-5-15-11(6-12)9-23-26-15;1-3-22-18(29)13-8-14(20)12(7-15(13)21)17-25-19(28(2)27-17)24-11-4-5-16-10(6-11)9-23-26-16;1-3-23-18(28)11-4-6-14(15(20)9-11)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21/h4-10,12H,11H2,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);4-9,11,13H,12H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,12H,11H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,12,23H,11,24H2,1-3H3,(H,25,30)(H,26,27,28);4-10H,3H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);2*4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);4-10,21H,3,22H2,1-2H3,(H,23,28)(H,24,25,26)/b;;;;23-10+;;;;21-10+
InChIKeyBQRRVMAVRLVIFW-JHEXPABKSA-N
XLogP29.25
TPSA1026.23 Ų
H-Bond Donors29
H-Bond Acceptors63
Rotatable Bonds58
Heavy Atoms277
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003810.39
LogP ≤ 529.25
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1063

Analyze 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide (CID 157432386) is 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C#N)c1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(Cl)c1.CCNC(=O)c1c(F)cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)c(C(F)(F)F)c1.COc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2)n(C)n1.[H]/N=C/c1cc(Nc2nc(-c3ccc(C(=O)NCC)cc3F)nn2C)ccc1N.[H]/N=C/c1cc(Nc2nc(-c3ccc(OCC(=O)NC(C)C)cc3F)nn2C)ccc1N.
What is the InChIKey of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is BQRRVMAVRLVIFW-JHEXPABKSA-N. The full InChI is InChI=1S/C22H22F3N7O2.C22H22N8O2.C22H25N7O3.C21H22ClN7O2.C21H24FN7O2.C20H18F3N7O.2C19H17F2N7O.C19H20FN7O/c1-12(2)27-19(33)11-34-15-5-6-16(17(9-15)22(23,24)25)20-29-21(32(3)31-20)28-14-4-7-18-13(8-14)10-26-30-18;1-13(2)25-20(31)12-32-17-5-6-18(14(9-17)10-23)21-27-22(30(3)29-21)26-16-4-7-19-15(8-16)11-24-28-19;1-13(2)24-20(30)12-32-16-6-7-17(19(10-16)31-4)21-26-22(29(3)28-21)25-15-5-8-18-14(9-15)11-23-27-18;1-12(2)24-19(30)11-31-15-5-6-16(17(22)9-15)20-26-21(29(3)28-20)25-14-4-7-18-13(8-14)10-23-27-18;1-12(2)25-19(30)11-31-15-5-6-16(17(22)9-15)20-27-21(29(3)28-20)26-14-4-7-18(24)13(8-14)10-23;1-3-24-18(31)11-4-6-14(15(9-11)20(21,22)23)17-27-19(30(2)29-17)26-13-5-7-16-12(8-13)10-25-28-16;1-3-22-18(29)16-13(20)7-10(8-14(16)21)17-25-19(28(2)27-17)24-12-4-5-15-11(6-12)9-23-26-15;1-3-22-18(29)13-8-14(20)12(7-15(13)21)17-25-19(28(2)27-17)24-11-4-5-16-10(6-11)9-23-26-16;1-3-23-18(28)11-4-6-14(15(20)9-11)17-25-19(27(2)26-17)24-13-5-7-16(22)12(8-13)10-21/h4-10,12H,11H2,1-3H3,(H,26,30)(H,27,33)(H,28,29,31);4-9,11,13H,12H2,1-3H3,(H,24,28)(H,25,31)(H,26,27,29);5-11,13H,12H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,12H,11H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);4-10,12,23H,11,24H2,1-3H3,(H,25,30)(H,26,27,28);4-10H,3H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);2*4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27);4-10,21H,3,22H2,1-2H3,(H,23,28)(H,24,25,26)/b;;;;23-10+;;;;21-10+.
What are the key properties of 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 3810.39 g/mol, XLogP of 29.25, 58 rotatable bonds, 29 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;2-[4-[5-(4-amino-3-methanimidoylanilino)-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[3-chloro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[3-cyano-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-ethyl-2,5-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-2,6-difluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 157432386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).