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;bis(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

C251H268Br3N81O33S4 — CID 165059167

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;bis(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(C[C@@H]2CO2)nn1)c1c[nH]c2ccccc12
InChIInChI=1S/3C16H17BrN6O.C16H18N6O.C16H17N5O2.C16H18N4O3.2C15H16N6O.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;2*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);2*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
InChIKeyQXNOBRHLQPUVPA-IKGFREALSA-N
MW5315.42 g/mol
LogP25.24
Rot. Bonds87

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;bis(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;bis(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 165059167) has the molecular formula C251H268Br3N81O33S4 and a molecular weight of 5315.42 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;bis(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;bis(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 CID165059167
Molecular FormulaC251H268Br3N81O33S4
Molecular Weight5315.42 g/mol
Exact Mass5308.82
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;bis(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(C[C@@H]2CO2)nn1)c1c[nH]c2ccccc12
InChIInChI=1S/3C16H17BrN6O.C16H18N6O.C16H17N5O2.C16H18N4O3.2C15H16N6O.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;2*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);2*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
InChIKeyQXNOBRHLQPUVPA-IKGFREALSA-N
XLogP25.24
TPSA1389.94 Ų
H-Bond Donors15
H-Bond Acceptors99
Rotatable Bonds87
Heavy Atoms372
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005315.42
LogP ≤ 525.24
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1099

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;bis(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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Launch Full Analysis

Related Compounds

1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one
CID 158642114
N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 142460646
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide
CID 126835800
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
1-(1H-indazol-3-yl)-3-[1-(1,3,5-triazin-2-ylmethyl)triazol-4-yl]propan-1-one
CID 159452543
3-[1-(cyclopropylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-[(2,2-difluorocyclopropyl)methyl]triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-(furan-2-ylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;1-(1H-indazol-3-yl)-3-[1-[(2-methyloxiran-2-yl)methyl]triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-[1-(oxiran-2-yl)ethyl]triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-[2-(oxiran-2-yl)propan-2-yl]triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propan-1-one
CID 160512794
1-(1H-indazol-3-yl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90355469
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
CID 45497746

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;bis(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;bis(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 165059167) 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;bis(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;bis(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;bis(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(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;bis(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 QXNOBRHLQPUVPA-IKGFREALSA-N. The full InChI is InChI=1S/3C16H17BrN6O.C16H18N6O.C16H17N5O2.C16H18N4O3.2C15H16N6O.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;2*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);2*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;bis(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;bis(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 5315.42 g/mol, XLogP of 25.24, 87 rotatable bonds, 15 hydrogen bond donors, and 99 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;bis(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 165059167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).