4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate

C143H122Cl9F7N24O12 — CID 158961221

IUPAC4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(CCN)c4ccc(Cl)c(Cl)c4)cc23)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(C(=O)O)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(Cl)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)c1ccccc1
InChIInChI=1S/C25H22Cl2N4O3.C24H19Cl2F3N4O2.C24H20Cl2N4O3.C24H21F3N4O2.C23H19Cl3N4O.C23H21FN4O/c1-34-25(33)16-4-2-3-15(11-16)23-19-13-17(6-8-22(19)30-31-23)29-24(32)18(9-10-28)14-5-7-20(26)21(27)12-14;25-19-6-4-13(11-20(19)26)17(8-9-30)23(34)31-15-5-7-21-18(12-15)22(33-32-21)14-2-1-3-16(10-14)35-24(27,28)29;25-19-6-4-13(11-20(19)26)17(8-9-27)23(31)28-16-5-7-21-18(12-16)22(30-29-21)14-2-1-3-15(10-14)24(32)33;25-24(26,27)33-18-8-4-7-16(13-18)22-20-14-17(9-10-21(20)30-31-22)29-23(32)19(11-12-28)15-5-2-1-3-6-15;24-15-3-1-2-14(10-15)22-18-12-16(5-7-21(18)29-30-22)28-23(31)17(8-9-27)13-4-6-19(25)20(26)11-13;24-17-8-4-7-16(13-17)22-20-14-18(9-10-21(20)27-28-22)26-23(29)19(11-12-25)15-5-2-1-3-6-15/h2-8,11-13,18H,9-10,28H2,1H3,(H,29,32)(H,30,31);1-7,10-12,17H,8-9,30H2,(H,31,34)(H,32,33);1-7,10-12,17H,8-9,27H2,(H,28,31)(H,29,30)(H,32,33);1-10,13-14,19H,11-12,28H2,(H,29,32)(H,30,31);1-7,10-12,17H,8-9,27H2,(H,28,31)(H,29,30);1-10,13-14,19H,11-12,25H2,(H,26,29)(H,27,28)
InChIKeyJMQMWMWSDFGCAB-UHFFFAOYSA-N
MW2820.77 g/mol
LogP33.11
Rot. Bonds40

About 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate

4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate (PubChem CID 158961221) has the molecular formula C143H122Cl9F7N24O12 and a molecular weight of 2820.77 g/mol. Its IUPAC name is 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate.

Molecular Properties

Compound Name4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate
PubChem CID158961221
Molecular FormulaC143H122Cl9F7N24O12
Molecular Weight2820.77 g/mol
Exact Mass2814.68
IUPAC Name4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(CCN)c4ccc(Cl)c(Cl)c4)cc23)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(C(=O)O)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(Cl)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)c1ccccc1
InChIInChI=1S/C25H22Cl2N4O3.C24H19Cl2F3N4O2.C24H20Cl2N4O3.C24H21F3N4O2.C23H19Cl3N4O.C23H21FN4O/c1-34-25(33)16-4-2-3-15(11-16)23-19-13-17(6-8-22(19)30-31-23)29-24(32)18(9-10-28)14-5-7-20(26)21(27)12-14;25-19-6-4-13(11-20(19)26)17(8-9-30)23(34)31-15-5-7-21-18(12-15)22(33-32-21)14-2-1-3-16(10-14)35-24(27,28)29;25-19-6-4-13(11-20(19)26)17(8-9-27)23(31)28-16-5-7-21-18(12-16)22(30-29-21)14-2-1-3-15(10-14)24(32)33;25-24(26,27)33-18-8-4-7-16(13-18)22-20-14-17(9-10-21(20)30-31-22)29-23(32)19(11-12-28)15-5-2-1-3-6-15;24-15-3-1-2-14(10-15)22-18-12-16(5-7-21(18)29-30-22)28-23(31)17(8-9-27)13-4-6-19(25)20(26)11-13;24-17-8-4-7-16(13-17)22-20-14-18(9-10-21(20)27-28-22)26-23(29)19(11-12-25)15-5-2-1-3-6-15/h2-8,11-13,18H,9-10,28H2,1H3,(H,29,32)(H,30,31);1-7,10-12,17H,8-9,30H2,(H,31,34)(H,32,33);1-7,10-12,17H,8-9,27H2,(H,28,31)(H,29,30)(H,32,33);1-10,13-14,19H,11-12,28H2,(H,29,32)(H,30,31);1-7,10-12,17H,8-9,27H2,(H,28,31)(H,29,30);1-10,13-14,19H,11-12,25H2,(H,26,29)(H,27,28)
InChIKeyJMQMWMWSDFGCAB-UHFFFAOYSA-N
XLogP33.11
TPSA584.86 Ų
H-Bond Donors19
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002820.77
LogP ≤ 533.11
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1023

Analyze 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate?
The IUPAC name of 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate (CID 158961221) is 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate.
What is the SMILES notation for 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate?
The canonical SMILES for 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate is COC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(CCN)c4ccc(Cl)c(Cl)c4)cc23)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(C(=O)O)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(Cl)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)c1ccccc1.
What is the InChIKey of 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate?
The InChIKey is JMQMWMWSDFGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O3.C24H19Cl2F3N4O2.C24H20Cl2N4O3.C24H21F3N4O2.C23H19Cl3N4O.C23H21FN4O/c1-34-25(33)16-4-2-3-15(11-16)23-19-13-17(6-8-22(19)30-31-23)29-24(32)18(9-10-28)14-5-7-20(26)21(27)12-14;25-19-6-4-13(11-20(19)26)17(8-9-30)23(34)31-15-5-7-21-18(12-15)22(33-32-21)14-2-1-3-16(10-14)35-24(27,28)29;25-19-6-4-13(11-20(19)26)17(8-9-27)23(31)28-16-5-7-21-18(12-16)22(30-29-21)14-2-1-3-15(10-14)24(32)33;25-24(26,27)33-18-8-4-7-16(13-18)22-20-14-17(9-10-21(20)30-31-22)29-23(32)19(11-12-28)15-5-2-1-3-6-15;24-15-3-1-2-14(10-15)22-18-12-16(5-7-21(18)29-30-22)28-23(31)17(8-9-27)13-4-6-19(25)20(26)11-13;24-17-8-4-7-16(13-17)22-20-14-18(9-10-21(20)27-28-22)26-23(29)19(11-12-25)15-5-2-1-3-6-15/h2-8,11-13,18H,9-10,28H2,1H3,(H,29,32)(H,30,31);1-7,10-12,17H,8-9,30H2,(H,31,34)(H,32,33);1-7,10-12,17H,8-9,27H2,(H,28,31)(H,29,30)(H,32,33);1-10,13-14,19H,11-12,28H2,(H,29,32)(H,30,31);1-7,10-12,17H,8-9,27H2,(H,28,31)(H,29,30);1-10,13-14,19H,11-12,25H2,(H,26,29)(H,27,28).
What are the key properties of 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate?
4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate has a molecular weight of 2820.77 g/mol, XLogP of 33.11, 40 rotatable bonds, 19 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate is sourced from PubChem (CID 158961221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).