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

C72H85Br3ClN17O11S3 — CID 158795628

IUPAC6-[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
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCCN)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCNC3=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)NCCCl)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C25H30BrClN6O4S.C25H29BrN6O4S.C22H26BrN5O3S/c1-28-24(34)23-20-14-19(16-4-5-16)22(15-21(20)31-33(23)18-8-6-17(26)7-9-18)32(38(2,36)37)13-3-11-29-25(35)30-12-10-27;1-27-24(33)23-20-14-19(16-4-5-16)22(15-21(20)29-32(23)18-8-6-17(26)7-9-18)31(37(2,35)36)12-3-11-30-13-10-28-25(30)34;1-25-22(29)21-18-12-17(14-4-5-14)20(27(11-3-10-24)32(2,30)31)13-19(18)26-28(21)16-8-6-15(23)7-9-16/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,28,34)(H2,29,30,35);6-9,14-16H,3-5,10-13H2,1-2H3,(H,27,33)(H,28,34);6-9,12-14H,3-5,10-11,24H2,1-2H3,(H,25,29)
InChIKeyISVDTYBGPOEVPB-UHFFFAOYSA-N
MW1735.95 g/mol
LogP10.07
Rot. Bonds28

About 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

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 (PubChem CID 158795628) has the molecular formula C72H85Br3ClN17O11S3 and a molecular weight of 1735.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID158795628
Molecular FormulaC72H85Br3ClN17O11S3
Molecular Weight1735.95 g/mol
Exact Mass1731.30
IUPAC Name6-[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
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCCN)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCNC3=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)NCCCl)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C25H30BrClN6O4S.C25H29BrN6O4S.C22H26BrN5O3S/c1-28-24(34)23-20-14-19(16-4-5-16)22(15-21(20)31-33(23)18-8-6-17(26)7-9-18)32(38(2,36)37)13-3-11-29-25(35)30-12-10-27;1-27-24(33)23-20-14-19(16-4-5-16)22(15-21(20)29-32(23)18-8-6-17(26)7-9-18)31(37(2,35)36)12-3-11-30-13-10-28-25(30)34;1-25-22(29)21-18-12-17(14-4-5-14)20(27(11-3-10-24)32(2,30)31)13-19(18)26-28(21)16-8-6-15(23)7-9-16/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,28,34)(H2,29,30,35);6-9,14-16H,3-5,10-13H2,1-2H3,(H,27,33)(H,28,34);6-9,12-14H,3-5,10-11,24H2,1-2H3,(H,25,29)
InChIKeyISVDTYBGPOEVPB-UHFFFAOYSA-N
XLogP10.07
TPSA352.39 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001735.95
LogP ≤ 510.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-[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
6-[3-(cyclopropanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)indazole-3-carboxamide
CID 69252324
6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 86699003
2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 71768584
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
5-cyclopropyl-2-[4-(3-hydroxyanilino)phenyl]-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 67512363
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56962929
1-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propan-2-ylcarbamoyl cyclopentanecarboxylate
CID 87428229
tert-butyl 3-[2-[[2-(4-chlorophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]ethyl]azetidine-1-carboxylate
CID 71768611
N-[2-[[2-(4-bromophenyl)-5-cyclopropyl-3-[hydroxy(methylamino)methyl]indazol-6-yl]-methylsulfonylamino]ethyl]acetamide
CID 123575582

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1c2cc(C3CC3)c(N(CCCN)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCNC3=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)NCCCl)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 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?
The InChIKey is ISVDTYBGPOEVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrClN6O4S.C25H29BrN6O4S.C22H26BrN5O3S/c1-28-24(34)23-20-14-19(16-4-5-16)22(15-21(20)31-33(23)18-8-6-17(26)7-9-18)32(38(2,36)37)13-3-11-29-25(35)30-12-10-27;1-27-24(33)23-20-14-19(16-4-5-16)22(15-21(20)29-32(23)18-8-6-17(26)7-9-18)31(37(2,35)36)12-3-11-30-13-10-28-25(30)34;1-25-22(29)21-18-12-17(14-4-5-14)20(27(11-3-10-24)32(2,30)31)13-19(18)26-28(21)16-8-6-15(23)7-9-16/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,28,34)(H2,29,30,35);6-9,14-16H,3-5,10-13H2,1-2H3,(H,27,33)(H,28,34);6-9,12-14H,3-5,10-11,24H2,1-2H3,(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 1735.95 g/mol, XLogP of 10.07, 28 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158795628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).