tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide

C266H284Br3N87O34S4 — CID 159175028

IUPACtris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide
SMILESCC(=O)Oc1ccccc1C(=O)NCc1cn(CC2CC2)nn1.CC(=O)Oc1ccccc1C(=O)NCc1cn(C[C@H]2CO2)nn1.Cc1ccc(S(=O)(=O)c2cn(CC3CC3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(CC3CC3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(C[C@@H]3CO3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(C[C@H]3CO3)nn2)cc1.Cn1nc(C(=O)CCc2cn(C[C@H]3CO3)nn2)c2ccccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2ccccc21.O=C(CCc1cn(C[C@@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(C[C@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(C[C@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(C[C@@H]2CO2)nn1)c1c[nH]c2ccccc12
InChIInChI=1S/3C16H17BrN6O.C16H18N6O.C16H17N5O2.C16H18N4O3.3C15H16N6O.4C15H15N5O2.C15H16N4O4.2C13H15N3O2S.2C12H13N3O3S/c3*1-22-14-5-4-11(17)6-13(14)15(20-22)16(24)18-7-12-9-23(21-19-12)8-10-2-3-10;1-21-14-5-3-2-4-13(14)15(19-21)16(23)17-8-12-10-22(20-18-12)9-11-6-7-11;1-20-14-5-3-2-4-13(14)16(18-20)15(22)7-6-11-8-21(19-17-11)9-12-10-23-12;1-11(21)23-15-5-3-2-4-14(15)16(22)17-8-13-10-20(19-18-13)9-12-6-7-12;3*22-15(14-12-3-1-2-4-13(12)18-19-14)16-7-11-9-21(20-17-11)8-10-5-6-10;21-15(13-6-16-14-4-2-1-3-12(13)14)17-5-10-7-20(19-18-10)8-11-9-22-11;3*21-14(15-12-3-1-2-4-13(12)17-18-15)6-5-10-7-20(19-16-10)8-11-9-22-11;1-10(20)23-14-5-3-2-4-13(14)15(21)16-6-11-7-19(18-17-11)8-12-9-22-12;2*1-10-2-6-12(7-3-10)19(17,18)13-9-16(15-14-13)8-11-4-5-11;2*1-9-2-4-11(5-3-9)19(16,17)12-7-15(14-13-12)6-10-8-18-10/h3*4-6,9-10H,2-3,7-8H2,1H3,(H,18,24);2-5,10-11H,6-9H2,1H3,(H,17,23);2-5,8,12H,6-7,9-10H2,1H3;2-5,10,12H,6-9H2,1H3,(H,17,22);3*1-4,9-10H,5-8H2,(H,16,22)(H,18,19);1-4,6-7,11,16H,5,8-9H2,(H,17,21);3*1-4,7,11H,5-6,8-9H2,(H,17,18);2-5,7,12H,6,8-9H2,1H3,(H,16,21);2*2-3,6-7,9,11H,4-5,8H2,1H3;2*2-5,7,10H,6,8H2,1H3/t;;;;12-;;;;;4*11-;12-;;;2*10-/m....0....11000..10/s1
InChIKeyKMEAKFHOONWFDM-RUOTUCIASA-N
MW5611.75 g/mol
LogP26.73
Rot. Bonds92

About tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide

tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide (PubChem CID 159175028) has the molecular formula C266H284Br3N87O34S4 and a molecular weight of 5611.75 g/mol. Its IUPAC name is tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Nametris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide
PubChem CID159175028
Molecular FormulaC266H284Br3N87O34S4
Molecular Weight5611.75 g/mol
Exact Mass5604.96
IUPAC Nametris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide
SMILESCC(=O)Oc1ccccc1C(=O)NCc1cn(CC2CC2)nn1.CC(=O)Oc1ccccc1C(=O)NCc1cn(C[C@H]2CO2)nn1.Cc1ccc(S(=O)(=O)c2cn(CC3CC3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(CC3CC3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(C[C@@H]3CO3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(C[C@H]3CO3)nn2)cc1.Cn1nc(C(=O)CCc2cn(C[C@H]3CO3)nn2)c2ccccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2ccccc21.O=C(CCc1cn(C[C@@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(C[C@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(C[C@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(C[C@@H]2CO2)nn1)c1c[nH]c2ccccc12
InChIInChI=1S/3C16H17BrN6O.C16H18N6O.C16H17N5O2.C16H18N4O3.3C15H16N6O.4C15H15N5O2.C15H16N4O4.2C13H15N3O2S.2C12H13N3O3S/c3*1-22-14-5-4-11(17)6-13(14)15(20-22)16(24)18-7-12-9-23(21-19-12)8-10-2-3-10;1-21-14-5-3-2-4-13(14)15(19-21)16(23)17-8-12-10-22(20-18-12)9-11-6-7-11;1-20-14-5-3-2-4-13(14)16(18-20)15(22)7-6-11-8-21(19-17-11)9-12-10-23-12;1-11(21)23-15-5-3-2-4-14(15)16(22)17-8-13-10-20(19-18-13)9-12-6-7-12;3*22-15(14-12-3-1-2-4-13(12)18-19-14)16-7-11-9-21(20-17-11)8-10-5-6-10;21-15(13-6-16-14-4-2-1-3-12(13)14)17-5-10-7-20(19-18-10)8-11-9-22-11;3*21-14(15-12-3-1-2-4-13(12)17-18-15)6-5-10-7-20(19-16-10)8-11-9-22-11;1-10(20)23-14-5-3-2-4-13(14)15(21)16-6-11-7-19(18-17-11)8-12-9-22-12;2*1-10-2-6-12(7-3-10)19(17,18)13-9-16(15-14-13)8-11-4-5-11;2*1-9-2-4-11(5-3-9)19(16,17)12-7-15(14-13-12)6-10-8-18-10/h3*4-6,9-10H,2-3,7-8H2,1H3,(H,18,24);2-5,10-11H,6-9H2,1H3,(H,17,23);2-5,8,12H,6-7,9-10H2,1H3;2-5,10,12H,6-9H2,1H3,(H,17,22);3*1-4,9-10H,5-8H2,(H,16,22)(H,18,19);1-4,6-7,11,16H,5,8-9H2,(H,17,21);3*1-4,7,11H,5-6,8-9H2,(H,17,18);2-5,7,12H,6,8-9H2,1H3,(H,16,21);2*2-3,6-7,9,11H,4-5,8H2,1H3;2*2-5,7,10H,6,8H2,1H3/t;;;;12-;;;;;4*11-;12-;;;2*10-/m....0....11000..10/s1
InChIKeyKMEAKFHOONWFDM-RUOTUCIASA-N
XLogP26.73
TPSA1478.43 Ų
H-Bond Donors17
H-Bond Acceptors104
Rotatable Bonds92
Heavy Atoms394
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005611.75
LogP ≤ 526.73
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 10104

Analyze tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide?
The IUPAC name of tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide (CID 159175028) is tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide?
The canonical SMILES for tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide is CC(=O)Oc1ccccc1C(=O)NCc1cn(CC2CC2)nn1.CC(=O)Oc1ccccc1C(=O)NCc1cn(C[C@H]2CO2)nn1.Cc1ccc(S(=O)(=O)c2cn(CC3CC3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(CC3CC3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(C[C@@H]3CO3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(C[C@H]3CO3)nn2)cc1.Cn1nc(C(=O)CCc2cn(C[C@H]3CO3)nn2)c2ccccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2ccccc21.O=C(CCc1cn(C[C@@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(C[C@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(CCc1cn(C[C@H]2CO2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(CC2CC2)nn1)c1n[nH]c2ccccc12.O=C(NCc1cn(C[C@@H]2CO2)nn1)c1c[nH]c2ccccc12.
What is the InChIKey of tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide?
The InChIKey is KMEAKFHOONWFDM-RUOTUCIASA-N. The full InChI is InChI=1S/3C16H17BrN6O.C16H18N6O.C16H17N5O2.C16H18N4O3.3C15H16N6O.4C15H15N5O2.C15H16N4O4.2C13H15N3O2S.2C12H13N3O3S/c3*1-22-14-5-4-11(17)6-13(14)15(20-22)16(24)18-7-12-9-23(21-19-12)8-10-2-3-10;1-21-14-5-3-2-4-13(14)15(19-21)16(23)17-8-12-10-22(20-18-12)9-11-6-7-11;1-20-14-5-3-2-4-13(14)16(18-20)15(22)7-6-11-8-21(19-17-11)9-12-10-23-12;1-11(21)23-15-5-3-2-4-14(15)16(22)17-8-13-10-20(19-18-13)9-12-6-7-12;3*22-15(14-12-3-1-2-4-13(12)18-19-14)16-7-11-9-21(20-17-11)8-10-5-6-10;21-15(13-6-16-14-4-2-1-3-12(13)14)17-5-10-7-20(19-18-10)8-11-9-22-11;3*21-14(15-12-3-1-2-4-13(12)17-18-15)6-5-10-7-20(19-16-10)8-11-9-22-11;1-10(20)23-14-5-3-2-4-13(14)15(21)16-6-11-7-19(18-17-11)8-12-9-22-12;2*1-10-2-6-12(7-3-10)19(17,18)13-9-16(15-14-13)8-11-4-5-11;2*1-9-2-4-11(5-3-9)19(16,17)12-7-15(14-13-12)6-10-8-18-10/h3*4-6,9-10H,2-3,7-8H2,1H3,(H,18,24);2-5,10-11H,6-9H2,1H3,(H,17,23);2-5,8,12H,6-7,9-10H2,1H3;2-5,10,12H,6-9H2,1H3,(H,17,22);3*1-4,9-10H,5-8H2,(H,16,22)(H,18,19);1-4,6-7,11,16H,5,8-9H2,(H,17,21);3*1-4,7,11H,5-6,8-9H2,(H,17,18);2-5,7,12H,6,8-9H2,1H3,(H,16,21);2*2-3,6-7,9,11H,4-5,8H2,1H3;2*2-5,7,10H,6,8H2,1H3/t;;;;12-;;;;;4*11-;12-;;;2*10-/m....0....11000..10/s1.
What are the key properties of tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide?
tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide has a molecular weight of 5611.75 g/mol, XLogP of 26.73, 92 rotatable bonds, 17 hydrogen bond donors, and 104 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;tris(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 159175028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).