1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen

C141H158Cl4F13N49O10 — CID 158753034

IUPAC1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)N1CCOCC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3F)n(C)n2)ccc1C(=O)NC(C)C.Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1.Cn1nc(-c2ccc3c(c2)CCN(C(=O)CNCC(F)(F)F)C3)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc3c(c2)CCNC3)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(OC(F)(F)F)c2)nc1Nc1ccc2[nH]ncc2c1Cl.[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/C23H22ClF3N8O.C22H22ClN7O3.C21H22FN7O2.C20H18F3N7O2.C19H18ClN7.C19H16F3N7O.C17H12ClF3N6O.14H2/c1-34-22(30-18-5-4-17-16(20(18)24)9-29-32-17)31-21(33-34)14-2-3-15-11-35(7-6-13(15)8-14)19(36)10-28-12-23(25,26)27;1-29-22(25-17-6-5-16-15(19(17)23)12-24-27-16)26-20(28-29)13-3-4-14(18(11-13)32-2)21(31)30-7-9-33-10-8-30;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;1-30-19(26-13-4-6-15-12(7-13)9-25-28-15)27-17(29-30)11-3-5-14(16(8-11)32-2)18(31)24-10-20(21,22)23;1-27-19(23-16-5-4-15-14(17(16)20)10-22-25-15)24-18(26-27)12-2-3-13-9-21-7-6-11(13)8-12;1-29-18(25-14-6-7-15-13(8-14)9-24-27-15)26-16(28-29)11-2-4-12(5-3-11)17(30)23-10-19(20,21)22;1-27-16(23-13-6-5-12-11(14(13)18)8-22-25-12)24-15(26-27)9-3-2-4-10(7-9)28-17(19,20)21;;;;;;;;;;;;;;/h2-5,8-9,28H,6-7,10-12H2,1H3,(H,29,32)(H,30,31,33);3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,25,26,28);5-11H,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);3-9H,10H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);2-5,8,10,21H,6-7,9H2,1H3,(H,22,25)(H,23,24,26);2-9H,10H2,1H3,(H,23,30)(H,24,27)(H,25,26,28);2-8H,1H3,(H,22,25)(H,23,24,26);14*1H
InChIKeyINSIFMNOKPSQDW-UHFFFAOYSA-N
MW3087.93 g/mol
LogP28.71
Rot. Bonds35

About 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen

1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (PubChem CID 158753034) has the molecular formula C141H158Cl4F13N49O10 and a molecular weight of 3087.93 g/mol. Its IUPAC name is 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
PubChem CID158753034
Molecular FormulaC141H158Cl4F13N49O10
Molecular Weight3087.93 g/mol
Exact Mass3084.19
IUPAC Name1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)N1CCOCC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3F)n(C)n2)ccc1C(=O)NC(C)C.Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1.Cn1nc(-c2ccc3c(c2)CCN(C(=O)CNCC(F)(F)F)C3)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc3c(c2)CCNC3)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(OC(F)(F)F)c2)nc1Nc1ccc2[nH]ncc2c1Cl.[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/C23H22ClF3N8O.C22H22ClN7O3.C21H22FN7O2.C20H18F3N7O2.C19H18ClN7.C19H16F3N7O.C17H12ClF3N6O.14H2/c1-34-22(30-18-5-4-17-16(20(18)24)9-29-32-17)31-21(33-34)14-2-3-15-11-35(7-6-13(15)8-14)19(36)10-28-12-23(25,26)27;1-29-22(25-17-6-5-16-15(19(17)23)12-24-27-16)26-20(28-29)13-3-4-14(18(11-13)32-2)21(31)30-7-9-33-10-8-30;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;1-30-19(26-13-4-6-15-12(7-13)9-25-28-15)27-17(29-30)11-3-5-14(16(8-11)32-2)18(31)24-10-20(21,22)23;1-27-19(23-16-5-4-15-14(17(16)20)10-22-25-15)24-18(26-27)12-2-3-13-9-21-7-6-11(13)8-12;1-29-18(25-14-6-7-15-13(8-14)9-24-27-15)26-16(28-29)11-2-4-12(5-3-11)17(30)23-10-19(20,21)22;1-27-16(23-13-6-5-12-11(14(13)18)8-22-25-12)24-15(26-27)9-3-2-4-10(7-9)28-17(19,20)21;;;;;;;;;;;;;;/h2-5,8-9,28H,6-7,10-12H2,1H3,(H,29,32)(H,30,31,33);3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,25,26,28);5-11H,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);3-9H,10H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);2-5,8,10,21H,6-7,9H2,1H3,(H,22,25)(H,23,24,26);2-9H,10H2,1H3,(H,23,30)(H,24,27)(H,25,26,28);2-8H,1H3,(H,22,25)(H,23,24,26);14*1H
InChIKeyINSIFMNOKPSQDW-UHFFFAOYSA-N
XLogP28.71
TPSA698.07 Ų
H-Bond Donors19
H-Bond Acceptors47
Rotatable Bonds35
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003087.93
LogP ≤ 528.71
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1047

Analyze 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-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 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The IUPAC name of 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (CID 158753034) is 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.
What is the SMILES notation for 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The canonical SMILES for 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)N1CCOCC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3F)n(C)n2)ccc1C(=O)NC(C)C.Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1.Cn1nc(-c2ccc3c(c2)CCN(C(=O)CNCC(F)(F)F)C3)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc3c(c2)CCNC3)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(OC(F)(F)F)c2)nc1Nc1ccc2[nH]ncc2c1Cl.[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 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The InChIKey is INSIFMNOKPSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N8O.C22H22ClN7O3.C21H22FN7O2.C20H18F3N7O2.C19H18ClN7.C19H16F3N7O.C17H12ClF3N6O.14H2/c1-34-22(30-18-5-4-17-16(20(18)24)9-29-32-17)31-21(33-34)14-2-3-15-11-35(7-6-13(15)8-14)19(36)10-28-12-23(25,26)27;1-29-22(25-17-6-5-16-15(19(17)23)12-24-27-16)26-20(28-29)13-3-4-14(18(11-13)32-2)21(31)30-7-9-33-10-8-30;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;1-30-19(26-13-4-6-15-12(7-13)9-25-28-15)27-17(29-30)11-3-5-14(16(8-11)32-2)18(31)24-10-20(21,22)23;1-27-19(23-16-5-4-15-14(17(16)20)10-22-25-15)24-18(26-27)12-2-3-13-9-21-7-6-11(13)8-12;1-29-18(25-14-6-7-15-13(8-14)9-24-27-15)26-16(28-29)11-2-4-12(5-3-11)17(30)23-10-19(20,21)22;1-27-16(23-13-6-5-12-11(14(13)18)8-22-25-12)24-15(26-27)9-3-2-4-10(7-9)28-17(19,20)21;;;;;;;;;;;;;;/h2-5,8-9,28H,6-7,10-12H2,1H3,(H,29,32)(H,30,31,33);3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,25,26,28);5-11H,1-4H3,(H,23,27)(H,24,30)(H,25,26,28);3-9H,10H2,1-2H3,(H,24,31)(H,25,28)(H,26,27,29);2-5,8,10,21H,6-7,9H2,1H3,(H,22,25)(H,23,24,26);2-9H,10H2,1H3,(H,23,30)(H,24,27)(H,25,26,28);2-8H,1H3,(H,22,25)(H,23,24,26);14*1H.
What are the key properties of 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen has a molecular weight of 3087.93 g/mol, XLogP of 28.71, 35 rotatable bonds, 19 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2,2,2-trifluoroethylamino)ethanone;[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-morpholin-4-ylmethanone;4-chloro-N-[2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[3-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 158753034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).