2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate

C197H221Br8N33O38S8 — CID 159028932

IUPAC2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate
SMILESCCC(C)OC(=O)CCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.CCOC(=O)CCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.CNC(=O)c1c2cc(C3CC3)c(N(CC(=O)O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCC(=O)NC(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)OCOC(=O)C(C)(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)Oc3ccccc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(NS(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C29H35BrN4O7S.C29H29BrN4O5S.C27H33BrN4O5S.C25H30BrN5O4S.C25H29BrN4O5S.C22H25BrN4O4S.C21H21BrN4O5S.C19H19BrN4O3S/c1-29(2,3)28(37)41-17-40-25(35)7-6-14-33(42(5,38)39)24-16-23-22(15-21(24)18-8-9-18)26(27(36)31-4)34(32-23)20-12-10-19(30)11-13-20;1-31-29(36)28-24-17-23(19-10-11-19)26(18-25(24)32-34(28)21-14-12-20(30)13-15-21)33(40(2,37)38)16-6-9-27(35)39-22-7-4-3-5-8-22;1-5-17(2)37-25(33)7-6-14-31(38(4,35)36)24-16-23-22(15-21(24)18-8-9-18)26(27(34)29-3)32(30-23)20-12-10-19(28)11-13-20;1-15(2)28-23(32)11-12-30(36(4,34)35)22-14-21-20(13-19(22)16-5-6-16)24(25(33)27-3)31(29-21)18-9-7-17(26)8-10-18;1-4-35-23(31)6-5-13-29(36(3,33)34)22-15-21-20(14-19(22)16-7-8-16)24(25(32)27-2)30(28-21)18-11-9-17(26)10-12-18;1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16;1-23-21(29)20-16-9-15(12-3-4-12)18(25(11-19(27)28)32(2,30)31)10-17(16)24-26(20)14-7-5-13(22)6-8-14;1-21-19(25)18-15-9-14(11-3-4-11)17(23-28(2,26)27)10-16(15)22-24(18)13-7-5-12(20)6-8-13/h10-13,15-16,18H,6-9,14,17H2,1-5H3,(H,31,36);3-5,7-8,12-15,17-19H,6,9-11,16H2,1-2H3,(H,31,36);10-13,15-18H,5-9,14H2,1-4H3,(H,29,34);7-10,13-16H,5-6,11-12H2,1-4H3,(H,27,33)(H,28,32);9-12,14-16H,4-8,13H2,1-3H3,(H,27,32);6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29);5-10,12H,3-4,11H2,1-2H3,(H,23,29)(H,27,28);5-11,23H,3-4H2,1-2H3,(H,21,25)
InChIKeyJUPZMGRQAPVRCL-UHFFFAOYSA-N
MW4554.90 g/mol
LogP32.04
Rot. Bonds71

About 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate

2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate (PubChem CID 159028932) has the molecular formula C197H221Br8N33O38S8 and a molecular weight of 4554.90 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate
PubChem CID159028932
Molecular FormulaC197H221Br8N33O38S8
Molecular Weight4554.90 g/mol
Exact Mass4543.76
IUPAC Name2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate
SMILESCCC(C)OC(=O)CCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.CCOC(=O)CCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.CNC(=O)c1c2cc(C3CC3)c(N(CC(=O)O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCC(=O)NC(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)OCOC(=O)C(C)(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)Oc3ccccc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(NS(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C29H35BrN4O7S.C29H29BrN4O5S.C27H33BrN4O5S.C25H30BrN5O4S.C25H29BrN4O5S.C22H25BrN4O4S.C21H21BrN4O5S.C19H19BrN4O3S/c1-29(2,3)28(37)41-17-40-25(35)7-6-14-33(42(5,38)39)24-16-23-22(15-21(24)18-8-9-18)26(27(36)31-4)34(32-23)20-12-10-19(30)11-13-20;1-31-29(36)28-24-17-23(19-10-11-19)26(18-25(24)32-34(28)21-14-12-20(30)13-15-21)33(40(2,37)38)16-6-9-27(35)39-22-7-4-3-5-8-22;1-5-17(2)37-25(33)7-6-14-31(38(4,35)36)24-16-23-22(15-21(24)18-8-9-18)26(27(34)29-3)32(30-23)20-12-10-19(28)11-13-20;1-15(2)28-23(32)11-12-30(36(4,34)35)22-14-21-20(13-19(22)16-5-6-16)24(25(33)27-3)31(29-21)18-9-7-17(26)8-10-18;1-4-35-23(31)6-5-13-29(36(3,33)34)22-15-21-20(14-19(22)16-7-8-16)24(25(32)27-2)30(28-21)18-11-9-17(26)10-12-18;1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16;1-23-21(29)20-16-9-15(12-3-4-12)18(25(11-19(27)28)32(2,30)31)10-17(16)24-26(20)14-7-5-13(22)6-8-14;1-21-19(25)18-15-9-14(11-3-4-11)17(23-28(2,26)27)10-16(15)22-24(18)13-7-5-12(20)6-8-13/h10-13,15-16,18H,6-9,14,17H2,1-5H3,(H,31,36);3-5,7-8,12-15,17-19H,6,9-11,16H2,1-2H3,(H,31,36);10-13,15-18H,5-9,14H2,1-4H3,(H,29,34);7-10,13-16H,5-6,11-12H2,1-4H3,(H,27,33)(H,28,32);9-12,14-16H,4-8,13H2,1-3H3,(H,27,32);6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29);5-10,12H,3-4,11H2,1-2H3,(H,23,29)(H,27,28);5-11,23H,3-4H2,1-2H3,(H,21,25)
InChIKeyJUPZMGRQAPVRCL-UHFFFAOYSA-N
XLogP32.04
TPSA901.32 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds71
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004554.90
LogP ≤ 532.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Analyze 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate with MolForge

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Related Compounds

4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfinylamino]butanoyloxymethyl 2,2-dimethylpropanoate
CID 69250415
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(3-methoxypropanoylamino)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 69250184
tert-butyl N-[3-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propylamino]-3-oxopropyl]carbamate
CID 67962379
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
1-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propan-2-ylcarbamoyl cyclopentanecarboxylate
CID 87428229
6-[3-(cyclopropanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)indazole-3-carboxamide
CID 69252324
6-[3-aminopropyl(methylsulfonyl)amino]-2-(4-bromophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-6-[3-(2-chloroethylcarbamoylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]indazole-3-carboxamide
CID 158795628
6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 86699003
5-cyclopropyl-2-[4-(3-hydroxyanilino)phenyl]-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 67512363
2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 71768584
2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
CID 56963170

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate?
The IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate (CID 159028932) is 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate.
What is the SMILES notation for 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate?
The canonical SMILES for 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate is CCC(C)OC(=O)CCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.CCOC(=O)CCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.CNC(=O)c1c2cc(C3CC3)c(N(CC(=O)O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCC(=O)NC(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)OCOC(=O)C(C)(C)C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCC(=O)Oc3ccccc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(NS(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate?
The InChIKey is JUPZMGRQAPVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35BrN4O7S.C29H29BrN4O5S.C27H33BrN4O5S.C25H30BrN5O4S.C25H29BrN4O5S.C22H25BrN4O4S.C21H21BrN4O5S.C19H19BrN4O3S/c1-29(2,3)28(37)41-17-40-25(35)7-6-14-33(42(5,38)39)24-16-23-22(15-21(24)18-8-9-18)26(27(36)31-4)34(32-23)20-12-10-19(30)11-13-20;1-31-29(36)28-24-17-23(19-10-11-19)26(18-25(24)32-34(28)21-14-12-20(30)13-15-21)33(40(2,37)38)16-6-9-27(35)39-22-7-4-3-5-8-22;1-5-17(2)37-25(33)7-6-14-31(38(4,35)36)24-16-23-22(15-21(24)18-8-9-18)26(27(34)29-3)32(30-23)20-12-10-19(28)11-13-20;1-15(2)28-23(32)11-12-30(36(4,34)35)22-14-21-20(13-19(22)16-5-6-16)24(25(33)27-3)31(29-21)18-9-7-17(26)8-10-18;1-4-35-23(31)6-5-13-29(36(3,33)34)22-15-21-20(14-19(22)16-7-8-16)24(25(32)27-2)30(28-21)18-11-9-17(26)10-12-18;1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16;1-23-21(29)20-16-9-15(12-3-4-12)18(25(11-19(27)28)32(2,30)31)10-17(16)24-26(20)14-7-5-13(22)6-8-14;1-21-19(25)18-15-9-14(11-3-4-11)17(23-28(2,26)27)10-16(15)22-24(18)13-7-5-12(20)6-8-13/h10-13,15-16,18H,6-9,14,17H2,1-5H3,(H,31,36);3-5,7-8,12-15,17-19H,6,9-11,16H2,1-2H3,(H,31,36);10-13,15-18H,5-9,14H2,1-4H3,(H,29,34);7-10,13-16H,5-6,11-12H2,1-4H3,(H,27,33)(H,28,32);9-12,14-16H,4-8,13H2,1-3H3,(H,27,32);6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29);5-10,12H,3-4,11H2,1-2H3,(H,23,29)(H,27,28);5-11,23H,3-4H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate?
2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate has a molecular weight of 4554.90 g/mol, XLogP of 32.04, 71 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;2-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]acetic acid;4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoyloxymethyl 2,2-dimethylpropanoate;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]indazole-3-carboxamide;butan-2-yl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;ethyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate;phenyl 4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]butanoate is sourced from PubChem (CID 159028932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).