2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen

C178H205Cl2F6N61O8 — CID 158890123

IUPAC2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
SMILESCCc1cc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n[nH]1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n[nH]2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n[nH]2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n[nH]2)ccc1OCC(=O)NC(C)C.Cc1cnc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)[nH]1.Cn1ccc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(-c3nc4c([nH]3)COCC4)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nccc1-c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.[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].[H][H].[H][H]
InChIInChI=1S/C25H24N8O.C24H24N8.3C23H22N8.C21H22ClN7O3.C20H18F3N7O2.C19H15ClF3N7O2.18H2/c1-33-25(29-20-9-8-18-17(12-26-31-18)22(20)14-2-3-14)30-24(32-33)16-6-4-15(5-7-16)23-27-19-10-11-34-13-21(19)28-23;1-3-17-12-21(30-28-17)14-4-8-16(9-5-14)23-27-24(32(2)31-23)26-20-11-10-19-18(13-25-29-19)22(20)15-6-7-15;1-30-12-11-18(28-30)14-3-7-16(8-4-14)22-26-23(31(2)29-22)25-20-10-9-19-17(13-24-27-19)21(20)15-5-6-15;1-30-20(11-12-25-30)14-3-7-16(8-4-14)22-27-23(31(2)29-22)26-19-10-9-18-17(13-24-28-18)21(19)15-5-6-15;1-13-11-24-21(26-13)15-5-7-16(8-6-15)22-28-23(31(2)30-22)27-19-10-9-18-17(12-25-29-18)20(19)14-3-4-14;1-11(2)24-18(30)10-32-16-7-4-12(8-17(16)31-3)20-26-21(29-28-20)25-15-6-5-14-13(19(15)22)9-23-27-14;1-10-13-8-25-28-15(13)6-5-14(10)26-19-27-17(29-30-19)11-3-4-12(16(7-11)32-2)18(31)24-9-20(21,22)23;1-32-14-6-9(2-3-10(14)17(31)24-8-19(21,22)23)16-27-18(30-29-16)26-13-5-4-12-11(15(13)20)7-25-28-12;;;;;;;;;;;;;;;;;;/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30,32);4-5,8-13,15H,3,6-7H2,1-2H3,(H,25,29)(H,28,30)(H,26,27,31);3-4,7-13,15H,5-6H2,1-2H3,(H,24,27)(H,25,26,29);3-4,7-13,15H,5-6H2,1-2H3,(H,24,28)(H,26,27,29);5-12,14H,3-4H2,1-2H3,(H,24,26)(H,25,29)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,23,27)(H,24,30)(H2,25,26,28,29);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H2,26,27,29,30);2-7H,8H2,1H3,(H,24,31)(H,25,28)(H2,26,27,29,30);18*1H
InChIKeyJECWKSFHCQMORE-UHFFFAOYSA-N
MW3511.91 g/mol
LogP38.64
Rot. Bonds46

About 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen

2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (PubChem CID 158890123) has the molecular formula C178H205Cl2F6N61O8 and a molecular weight of 3511.91 g/mol. Its IUPAC name is 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
PubChem CID158890123
Molecular FormulaC178H205Cl2F6N61O8
Molecular Weight3511.91 g/mol
Exact Mass3508.68
IUPAC Name2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
SMILESCCc1cc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n[nH]1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n[nH]2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n[nH]2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n[nH]2)ccc1OCC(=O)NC(C)C.Cc1cnc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)[nH]1.Cn1ccc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(-c3nc4c([nH]3)COCC4)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nccc1-c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.[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].[H][H].[H][H]
InChIInChI=1S/C25H24N8O.C24H24N8.3C23H22N8.C21H22ClN7O3.C20H18F3N7O2.C19H15ClF3N7O2.18H2/c1-33-25(29-20-9-8-18-17(12-26-31-18)22(20)14-2-3-14)30-24(32-33)16-6-4-15(5-7-16)23-27-19-10-11-34-13-21(19)28-23;1-3-17-12-21(30-28-17)14-4-8-16(9-5-14)23-27-24(32(2)31-23)26-20-11-10-19-18(13-25-29-19)22(20)15-6-7-15;1-30-12-11-18(28-30)14-3-7-16(8-4-14)22-26-23(31(2)29-22)25-20-10-9-19-17(13-24-27-19)21(20)15-5-6-15;1-30-20(11-12-25-30)14-3-7-16(8-4-14)22-27-23(31(2)29-22)26-19-10-9-18-17(13-24-28-18)21(19)15-5-6-15;1-13-11-24-21(26-13)15-5-7-16(8-6-15)22-28-23(31(2)30-22)27-19-10-9-18-17(12-25-29-18)20(19)14-3-4-14;1-11(2)24-18(30)10-32-16-7-4-12(8-17(16)31-3)20-26-21(29-28-20)25-15-6-5-14-13(19(15)22)9-23-27-14;1-10-13-8-25-28-15(13)6-5-14(10)26-19-27-17(29-30-19)11-3-4-12(16(7-11)32-2)18(31)24-9-20(21,22)23;1-32-14-6-9(2-3-10(14)17(31)24-8-19(21,22)23)16-27-18(30-29-16)26-13-5-4-12-11(15(13)20)7-25-28-12;;;;;;;;;;;;;;;;;;/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30,32);4-5,8-13,15H,3,6-7H2,1-2H3,(H,25,29)(H,28,30)(H,26,27,31);3-4,7-13,15H,5-6H2,1-2H3,(H,24,27)(H,25,26,29);3-4,7-13,15H,5-6H2,1-2H3,(H,24,28)(H,26,27,29);5-12,14H,3-4H2,1-2H3,(H,24,26)(H,25,29)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,23,27)(H,24,30)(H2,25,26,28,29);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H2,26,27,29,30);2-7H,8H2,1H3,(H,24,31)(H,25,28)(H2,26,27,29,30);18*1H
InChIKeyJECWKSFHCQMORE-UHFFFAOYSA-N
XLogP38.64
TPSA859.07 Ų
H-Bond Donors25
H-Bond Acceptors52
Rotatable Bonds46
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003511.91
LogP ≤ 538.64
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1052

Analyze 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The IUPAC name of 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (CID 158890123) is 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.
What is the SMILES notation for 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The canonical SMILES for 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is CCc1cc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n[nH]1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n[nH]2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n[nH]2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n[nH]2)ccc1OCC(=O)NC(C)C.Cc1cnc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)[nH]1.Cn1ccc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(-c3nc4c([nH]3)COCC4)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1.Cn1nccc1-c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.[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].[H][H].[H][H].
What is the InChIKey of 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The InChIKey is JECWKSFHCQMORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O.C24H24N8.3C23H22N8.C21H22ClN7O3.C20H18F3N7O2.C19H15ClF3N7O2.18H2/c1-33-25(29-20-9-8-18-17(12-26-31-18)22(20)14-2-3-14)30-24(32-33)16-6-4-15(5-7-16)23-27-19-10-11-34-13-21(19)28-23;1-3-17-12-21(30-28-17)14-4-8-16(9-5-14)23-27-24(32(2)31-23)26-20-11-10-19-18(13-25-29-19)22(20)15-6-7-15;1-30-12-11-18(28-30)14-3-7-16(8-4-14)22-26-23(31(2)29-22)25-20-10-9-19-17(13-24-27-19)21(20)15-5-6-15;1-30-20(11-12-25-30)14-3-7-16(8-4-14)22-27-23(31(2)29-22)26-19-10-9-18-17(13-24-28-18)21(19)15-5-6-15;1-13-11-24-21(26-13)15-5-7-16(8-6-15)22-28-23(31(2)30-22)27-19-10-9-18-17(12-25-29-18)20(19)14-3-4-14;1-11(2)24-18(30)10-32-16-7-4-12(8-17(16)31-3)20-26-21(29-28-20)25-15-6-5-14-13(19(15)22)9-23-27-14;1-10-13-8-25-28-15(13)6-5-14(10)26-19-27-17(29-30-19)11-3-4-12(16(7-11)32-2)18(31)24-9-20(21,22)23;1-32-14-6-9(2-3-10(14)17(31)24-8-19(21,22)23)16-27-18(30-29-16)26-13-5-4-12-11(15(13)20)7-25-28-12;;;;;;;;;;;;;;;;;;/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30,32);4-5,8-13,15H,3,6-7H2,1-2H3,(H,25,29)(H,28,30)(H,26,27,31);3-4,7-13,15H,5-6H2,1-2H3,(H,24,27)(H,25,26,29);3-4,7-13,15H,5-6H2,1-2H3,(H,24,28)(H,26,27,29);5-12,14H,3-4H2,1-2H3,(H,24,26)(H,25,29)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,23,27)(H,24,30)(H2,25,26,28,29);3-8H,9H2,1-2H3,(H,24,31)(H,25,28)(H2,26,27,29,30);2-7H,8H2,1H3,(H,24,31)(H,25,28)(H2,26,27,29,30);18*1H.
What are the key properties of 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen has a molecular weight of 3511.91 g/mol, XLogP of 38.64, 46 rotatable bonds, 25 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-cyclopropyl-N-[5-[4-(5-ethyl-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(1-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[2-methyl-5-[4-(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-yl)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 158890123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).