N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen

C163H185F23N58O8 — CID 158858014

IUPACN-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
SMILESCCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(C)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cnc1C(=O)NC1CC1.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(F)c3F)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)nc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(N)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H22F3N7O.2C21H20F3N7O.C21H22N8O2.C20H16F5N7O.C20H18F3N7O.C19H17F3N8O.C19H18F3N7.16H2/c1-4-14-16-10-27-30-18(16)8-7-17(14)28-21-29-19(31-32(21)3)13-5-6-15(12(2)9-13)20(33)26-11-22(23,24)25;1-11-8-13(4-5-14(11)19(32)25-10-21(22,23)24)18-28-20(31(3)30-18)27-16-6-7-17-15(12(16)2)9-26-29-17;1-3-14-15-10-26-29-17(15)9-8-16(14)27-20-28-18(30-31(20)2)12-4-6-13(7-5-12)19(32)25-11-21(22,23)24;1-11-14-10-23-27-16(14)7-6-15(11)25-21-26-19(28-29(21)2)12-8-17(31-3)18(22-9-12)20(30)24-13-4-5-13;1-9-12-7-27-30-14(12)6-5-13(9)28-19-29-17(31-32(19)2)10-3-4-11(16(22)15(10)21)18(33)26-8-20(23,24)25;1-11-14-9-25-28-16(14)8-7-15(11)26-19-27-17(29-30(19)2)12-3-5-13(6-4-12)18(31)24-10-20(21,22)23;1-10-12-8-25-28-14(12)6-5-13(10)26-18-27-16(29-30(18)2)11-3-4-15(23-7-11)17(31)24-9-19(20,21)22;1-10-13-9-24-27-15(13)8-7-14(10)25-18-26-17(28-29(18)2)12-5-3-11(4-6-12)16(23)19(20,21)22;;;;;;;;;;;;;;;;/h5-10H,4,11H2,1-3H3,(H,26,33)(H,27,30)(H,28,29,31);4-9H,10H2,1-3H3,(H,25,32)(H,26,29)(H,27,28,30);4-10H,3,11H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);6-10,13H,4-5H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3-7H,8H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);3-9H,10H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);3-9,16H,23H2,1-2H3,(H,24,27)(H,25,26,28);16*1H
InChIKeyJAHMJXISBPISMZ-UHFFFAOYSA-N
MW3521.62 g/mol
LogP33.63
Rot. Bonds42

About N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen

N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (PubChem CID 158858014) has the molecular formula C163H185F23N58O8 and a molecular weight of 3521.62 g/mol. Its IUPAC name is N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
PubChem CID158858014
Molecular FormulaC163H185F23N58O8
Molecular Weight3521.62 g/mol
Exact Mass3519.55
IUPAC NameN-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
SMILESCCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(C)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cnc1C(=O)NC1CC1.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(F)c3F)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)nc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(N)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H22F3N7O.2C21H20F3N7O.C21H22N8O2.C20H16F5N7O.C20H18F3N7O.C19H17F3N8O.C19H18F3N7.16H2/c1-4-14-16-10-27-30-18(16)8-7-17(14)28-21-29-19(31-32(21)3)13-5-6-15(12(2)9-13)20(33)26-11-22(23,24)25;1-11-8-13(4-5-14(11)19(32)25-10-21(22,23)24)18-28-20(31(3)30-18)27-16-6-7-17-15(12(16)2)9-26-29-17;1-3-14-15-10-26-29-17(15)9-8-16(14)27-20-28-18(30-31(20)2)12-4-6-13(7-5-12)19(32)25-11-21(22,23)24;1-11-14-10-23-27-16(14)7-6-15(11)25-21-26-19(28-29(21)2)12-8-17(31-3)18(22-9-12)20(30)24-13-4-5-13;1-9-12-7-27-30-14(12)6-5-13(9)28-19-29-17(31-32(19)2)10-3-4-11(16(22)15(10)21)18(33)26-8-20(23,24)25;1-11-14-9-25-28-16(14)8-7-15(11)26-19-27-17(29-30(19)2)12-3-5-13(6-4-12)18(31)24-10-20(21,22)23;1-10-12-8-25-28-14(12)6-5-13(10)26-18-27-16(29-30(18)2)11-3-4-15(23-7-11)17(31)24-9-19(20,21)22;1-10-13-9-24-27-15(13)8-7-14(10)25-18-26-17(28-29(18)2)12-5-3-11(4-6-12)16(23)19(20,21)22;;;;;;;;;;;;;;;;/h5-10H,4,11H2,1-3H3,(H,26,33)(H,27,30)(H,28,29,31);4-9H,10H2,1-3H3,(H,25,32)(H,26,29)(H,27,28,30);4-10H,3,11H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);6-10,13H,4-5H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3-7H,8H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);3-9H,10H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);3-9,16H,23H2,1-2H3,(H,24,27)(H,25,26,28);16*1H
InChIKeyJAHMJXISBPISMZ-UHFFFAOYSA-N
XLogP33.63
TPSA836.09 Ų
H-Bond Donors24
H-Bond Acceptors51
Rotatable Bonds42
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003521.62
LogP ≤ 533.63
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1051

Analyze N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The IUPAC name of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (CID 158858014) is N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.
What is the SMILES notation for N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The canonical SMILES for N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(C)c3)nn2C)ccc2[nH]ncc12.CCc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cnc1C(=O)NC1CC1.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(F)c3F)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(=O)NCC(F)(F)F)nc3)nn2C)ccc2[nH]ncc12.Cc1c(Nc2nc(-c3ccc(C(N)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The InChIKey is JAHMJXISBPISMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O.2C21H20F3N7O.C21H22N8O2.C20H16F5N7O.C20H18F3N7O.C19H17F3N8O.C19H18F3N7.16H2/c1-4-14-16-10-27-30-18(16)8-7-17(14)28-21-29-19(31-32(21)3)13-5-6-15(12(2)9-13)20(33)26-11-22(23,24)25;1-11-8-13(4-5-14(11)19(32)25-10-21(22,23)24)18-28-20(31(3)30-18)27-16-6-7-17-15(12(16)2)9-26-29-17;1-3-14-15-10-26-29-17(15)9-8-16(14)27-20-28-18(30-31(20)2)12-4-6-13(7-5-12)19(32)25-11-21(22,23)24;1-11-14-10-23-27-16(14)7-6-15(11)25-21-26-19(28-29(21)2)12-8-17(31-3)18(22-9-12)20(30)24-13-4-5-13;1-9-12-7-27-30-14(12)6-5-13(9)28-19-29-17(31-32(19)2)10-3-4-11(16(22)15(10)21)18(33)26-8-20(23,24)25;1-11-14-9-25-28-16(14)8-7-15(11)26-19-27-17(29-30(19)2)12-3-5-13(6-4-12)18(31)24-10-20(21,22)23;1-10-12-8-25-28-14(12)6-5-13(10)26-18-27-16(29-30(18)2)11-3-4-15(23-7-11)17(31)24-9-19(20,21)22;1-10-13-9-24-27-15(13)8-7-14(10)25-18-26-17(28-29(18)2)12-5-3-11(4-6-12)16(23)19(20,21)22;;;;;;;;;;;;;;;;/h5-10H,4,11H2,1-3H3,(H,26,33)(H,27,30)(H,28,29,31);4-9H,10H2,1-3H3,(H,25,32)(H,26,29)(H,27,28,30);4-10H,3,11H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);6-10,13H,4-5H2,1-3H3,(H,23,27)(H,24,30)(H,25,26,28);3-7H,8H2,1-2H3,(H,26,33)(H,27,30)(H,28,29,31);3-9H,10H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);3-9,16H,23H2,1-2H3,(H,24,27)(H,25,26,28);16*1H.
What are the key properties of N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen has a molecular weight of 3521.62 g/mol, XLogP of 33.63, 42 rotatable bonds, 24 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine;N-cyclopropyl-3-methoxy-5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]pyridine-2-carboxamide;2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;5-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide;2-methyl-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 158858014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).