3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine

C298H300B2N86O4 — CID 159812108

IUPAC3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESCB1OC(CN)c2cc(NCc3nc(-c4ccc5ncnn5c4)c(-c4cccc(C)n4)[nH]3)ccc21.CCC(=O)N1N=Cc2cc(NCc3nc(-c4ccc5ncnn5c4)c(-c4cccc(C)n4)[nH]3)ccc2B1O.CCc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1.Cc1cccc(-c2[nH]c(CCC3CCCCC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCCCC3C)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCCOC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)C(N)CC4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3C(N)CC4)nc2C2=CN3NCN=C3C=C2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3CC(N)C4)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H24BN9O2.3C26H25N7.C25H25BN8O.C25H26N8.2C25H24N8.C25H24N6.C24H28N6.C23H26N6.C22H24N6O/c1-3-24(37)36-27(38)20-9-8-19(11-18(20)12-30-36)28-13-22-33-25(17-7-10-23-29-15-31-35(23)14-17)26(34-22)21-6-4-5-16(2)32-21;1-16-11-18-6-4-7-21(20(18)12-16)27-13-23-31-25(19-9-10-24-28-15-29-33(24)14-19)26(32-23)22-8-3-5-17(2)30-22;2*1-16-10-18-6-8-21(12-20(18)11-16)27-13-23-31-25(19-7-9-24-28-15-29-33(24)14-19)26(32-23)22-5-3-4-17(2)30-22;1-15-4-3-5-20(31-15)25-24(16-6-9-23-29-14-30-34(23)13-16)32-22(33-25)12-28-17-7-8-19-18(10-17)21(11-27)35-26(19)2;1-15-4-2-7-20(30-15)25-24(17-9-11-22-28-14-29-33(22)13-17)31-21(32-25)12-27-19-6-3-5-16-8-10-18(26)23(16)19;1-15-4-2-7-21(30-15)25-24(17-8-9-23-28-14-29-33(23)13-17)31-22(32-25)12-27-20-6-3-5-16-10-18(26)11-19(16)20;1-15-3-2-4-21(30-15)25-24(17-7-10-23-28-14-29-33(23)13-17)31-22(32-25)12-27-18-8-5-16-6-9-20(26)19(16)11-18;1-3-18-7-5-8-19(14-18)10-12-22-29-24(20-11-13-23-26-16-27-31(23)15-20)25(30-22)21-9-4-6-17(2)28-21;1-16-6-3-4-8-18(16)10-12-21-28-23(19-11-13-22-25-15-26-30(22)14-19)24(29-21)20-9-5-7-17(2)27-20;1-16-6-5-9-19(26-16)23-22(18-11-13-21-24-15-25-29(21)14-18)27-20(28-23)12-10-17-7-3-2-4-8-17;1-15-4-2-6-18(25-15)22-21(17-8-10-20-23-14-24-28(20)12-17)26-19(27-22)9-7-16-5-3-11-29-13-16/h4-12,14-15,28,38H,3,13H2,1-2H3,(H,33,34);3-10,14-16,27H,11-13H2,1-2H3,(H,31,32);2*3-9,12,14-16,27H,10-11,13H2,1-2H3,(H,31,32);3-10,13-14,21,28H,11-12,27H2,1-2H3,(H,32,33);2-7,9,11,13,18,27,29H,8,10,12,14,26H2,1H3,(H,31,32);2-9,13-14,18,27H,10-12,26H2,1H3,(H,31,32);2-5,7-8,10-11,13-14,20,27H,6,9,12,26H2,1H3,(H,31,32);4-9,11,13-16H,3,10,12H2,1-2H3,(H,29,30);5,7,9,11,13-16,18H,3-4,6,8,10,12H2,1-2H3,(H,28,29);5-6,9,11,13-15,17H,2-4,7-8,10,12H2,1H3,(H,27,28);2,4,6,8,10,12,14,16H,3,5,7,9,11,13H2,1H3,(H,26,27)
InChIKeyNLDUNOOZAVLQDA-UHFFFAOYSA-N
MW5171.90 g/mol
LogP49.78
Rot. Bonds63

About 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine

3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 159812108) has the molecular formula C298H300B2N86O4 and a molecular weight of 5171.90 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID159812108
Molecular FormulaC298H300B2N86O4
Molecular Weight5171.90 g/mol
Exact Mass5168.61
IUPAC Name3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESCB1OC(CN)c2cc(NCc3nc(-c4ccc5ncnn5c4)c(-c4cccc(C)n4)[nH]3)ccc21.CCC(=O)N1N=Cc2cc(NCc3nc(-c4ccc5ncnn5c4)c(-c4cccc(C)n4)[nH]3)ccc2B1O.CCc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1.Cc1cccc(-c2[nH]c(CCC3CCCCC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCCCC3C)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCCOC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)C(N)CC4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3C(N)CC4)nc2C2=CN3NCN=C3C=C2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3CC(N)C4)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H24BN9O2.3C26H25N7.C25H25BN8O.C25H26N8.2C25H24N8.C25H24N6.C24H28N6.C23H26N6.C22H24N6O/c1-3-24(37)36-27(38)20-9-8-19(11-18(20)12-30-36)28-13-22-33-25(17-7-10-23-29-15-31-35(23)14-17)26(34-22)21-6-4-5-16(2)32-21;1-16-11-18-6-4-7-21(20(18)12-16)27-13-23-31-25(19-9-10-24-28-15-29-33(24)14-19)26(32-23)22-8-3-5-17(2)30-22;2*1-16-10-18-6-8-21(12-20(18)11-16)27-13-23-31-25(19-7-9-24-28-15-29-33(24)14-19)26(32-23)22-5-3-4-17(2)30-22;1-15-4-3-5-20(31-15)25-24(16-6-9-23-29-14-30-34(23)13-16)32-22(33-25)12-28-17-7-8-19-18(10-17)21(11-27)35-26(19)2;1-15-4-2-7-20(30-15)25-24(17-9-11-22-28-14-29-33(22)13-17)31-21(32-25)12-27-19-6-3-5-16-8-10-18(26)23(16)19;1-15-4-2-7-21(30-15)25-24(17-8-9-23-28-14-29-33(23)13-17)31-22(32-25)12-27-20-6-3-5-16-10-18(26)11-19(16)20;1-15-3-2-4-21(30-15)25-24(17-7-10-23-28-14-29-33(23)13-17)31-22(32-25)12-27-18-8-5-16-6-9-20(26)19(16)11-18;1-3-18-7-5-8-19(14-18)10-12-22-29-24(20-11-13-23-26-16-27-31(23)15-20)25(30-22)21-9-4-6-17(2)28-21;1-16-6-3-4-8-18(16)10-12-21-28-23(19-11-13-22-25-15-26-30(22)14-19)24(29-21)20-9-5-7-17(2)27-20;1-16-6-5-9-19(26-16)23-22(18-11-13-21-24-15-25-29(21)14-18)27-20(28-23)12-10-17-7-3-2-4-8-17;1-15-4-2-6-18(25-15)22-21(17-8-10-20-23-14-24-28(20)12-17)26-19(27-22)9-7-16-5-3-11-29-13-16/h4-12,14-15,28,38H,3,13H2,1-2H3,(H,33,34);3-10,14-16,27H,11-13H2,1-2H3,(H,31,32);2*3-9,12,14-16,27H,10-11,13H2,1-2H3,(H,31,32);3-10,13-14,21,28H,11-12,27H2,1-2H3,(H,32,33);2-7,9,11,13,18,27,29H,8,10,12,14,26H2,1H3,(H,31,32);2-9,13-14,18,27H,10-12,26H2,1H3,(H,31,32);2-5,7-8,10-11,13-14,20,27H,6,9,12,26H2,1H3,(H,31,32);4-9,11,13-16H,3,10,12H2,1-2H3,(H,29,30);5,7,9,11,13-16,18H,3-4,6,8,10,12H2,1-2H3,(H,28,29);5-6,9,11,13-15,17H,2-4,7-8,10,12H2,1H3,(H,27,28);2,4,6,8,10,12,14,16H,3,5,7,9,11,13H2,1H3,(H,26,27)
InChIKeyNLDUNOOZAVLQDA-UHFFFAOYSA-N
XLogP49.78
TPSA1130.24 Ų
H-Bond Donors26
H-Bond Acceptors77
Rotatable Bonds63
Heavy Atoms390
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005171.90
LogP ≤ 549.78
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1077

Analyze 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine (CID 159812108) is 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine is CB1OC(CN)c2cc(NCc3nc(-c4ccc5ncnn5c4)c(-c4cccc(C)n4)[nH]3)ccc21.CCC(=O)N1N=Cc2cc(NCc3nc(-c4ccc5ncnn5c4)c(-c4cccc(C)n4)[nH]3)ccc2B1O.CCc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1.Cc1cccc(-c2[nH]c(CCC3CCCCC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCCCC3C)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCCOC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)C(N)CC4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3ccc4c(c3)CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3C(N)CC4)nc2C2=CN3NCN=C3C=C2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3CC(C)C4)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CNc3cccc4c3CC(N)C4)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is NLDUNOOZAVLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BN9O2.3C26H25N7.C25H25BN8O.C25H26N8.2C25H24N8.C25H24N6.C24H28N6.C23H26N6.C22H24N6O/c1-3-24(37)36-27(38)20-9-8-19(11-18(20)12-30-36)28-13-22-33-25(17-7-10-23-29-15-31-35(23)14-17)26(34-22)21-6-4-5-16(2)32-21;1-16-11-18-6-4-7-21(20(18)12-16)27-13-23-31-25(19-9-10-24-28-15-29-33(24)14-19)26(32-23)22-8-3-5-17(2)30-22;2*1-16-10-18-6-8-21(12-20(18)11-16)27-13-23-31-25(19-7-9-24-28-15-29-33(24)14-19)26(32-23)22-5-3-4-17(2)30-22;1-15-4-3-5-20(31-15)25-24(16-6-9-23-29-14-30-34(23)13-16)32-22(33-25)12-28-17-7-8-19-18(10-17)21(11-27)35-26(19)2;1-15-4-2-7-20(30-15)25-24(17-9-11-22-28-14-29-33(22)13-17)31-21(32-25)12-27-19-6-3-5-16-8-10-18(26)23(16)19;1-15-4-2-7-21(30-15)25-24(17-8-9-23-28-14-29-33(23)13-17)31-22(32-25)12-27-20-6-3-5-16-10-18(26)11-19(16)20;1-15-3-2-4-21(30-15)25-24(17-7-10-23-28-14-29-33(23)13-17)31-22(32-25)12-27-18-8-5-16-6-9-20(26)19(16)11-18;1-3-18-7-5-8-19(14-18)10-12-22-29-24(20-11-13-23-26-16-27-31(23)15-20)25(30-22)21-9-4-6-17(2)28-21;1-16-6-3-4-8-18(16)10-12-21-28-23(19-11-13-22-25-15-26-30(22)14-19)24(29-21)20-9-5-7-17(2)27-20;1-16-6-5-9-19(26-16)23-22(18-11-13-21-24-15-25-29(21)14-18)27-20(28-23)12-10-17-7-3-2-4-8-17;1-15-4-2-6-18(25-15)22-21(17-8-10-20-23-14-24-28(20)12-17)26-19(27-22)9-7-16-5-3-11-29-13-16/h4-12,14-15,28,38H,3,13H2,1-2H3,(H,33,34);3-10,14-16,27H,11-13H2,1-2H3,(H,31,32);2*3-9,12,14-16,27H,10-11,13H2,1-2H3,(H,31,32);3-10,13-14,21,28H,11-12,27H2,1-2H3,(H,32,33);2-7,9,11,13,18,27,29H,8,10,12,14,26H2,1H3,(H,31,32);2-9,13-14,18,27H,10-12,26H2,1H3,(H,31,32);2-5,7-8,10-11,13-14,20,27H,6,9,12,26H2,1H3,(H,31,32);4-9,11,13-16H,3,10,12H2,1-2H3,(H,29,30);5,7,9,11,13-16,18H,3-4,6,8,10,12H2,1-2H3,(H,28,29);5-6,9,11,13-15,17H,2-4,7-8,10,12H2,1H3,(H,27,28);2,4,6,8,10,12,14,16H,3,5,7,9,11,13H2,1H3,(H,26,27).
What are the key properties of 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine?
3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 5171.90 g/mol, XLogP of 49.78, 63 rotatable bonds, 26 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-2,1-benzoxaborol-5-amine;6-[2-(2-cyclohexylethyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-N-[[4-(2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,7-diamine;6-[2-[2-(3-ethylphenyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[1-hydroxy-6-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3,1-benzodiazaborinin-2-yl]propan-1-one;6-[2-[2-(2-methylcyclohexyl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-4-amine;bis(2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-inden-5-amine);6-[5-(6-methyl-2-pyridinyl)-2-[2-(oxan-3-yl)ethyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-2,4-diamine;6-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 159812108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).