3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid

C110H110Cl2N12O14 — CID 158712599

IUPAC3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid
SMILESCC(C)COc1ccc(C(=O)Nc2cc(Cl)c(CCC(=O)O)cc2-c2ccc3[nH]ncc3c2)cc1.CC(C)Cc1ccc(C(=O)Nc2cc(Cl)c(CCC(=O)O)cc2-c2ccc3[nH]ncc3c2)cc1.Cc1cc(NC(=O)c2ccc(CC(C)C)cc2)c(-c2ccc3[nH]ncc3c2)cc1CCC(=O)O.Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)c(-c2ccc3[nH]ncc3c2)cc1CCC(=O)O
InChIInChI=1S/C28H29N3O4.C28H29N3O3.C27H26ClN3O4.C27H26ClN3O3/c1-17(2)16-35-23-8-4-19(5-9-23)28(34)30-26-12-18(3)20(7-11-27(32)33)14-24(26)21-6-10-25-22(13-21)15-29-31-25;1-17(2)12-19-4-6-20(7-5-19)28(34)30-26-13-18(3)21(9-11-27(32)33)15-24(26)22-8-10-25-23(14-22)16-29-31-25;1-16(2)15-35-21-7-3-17(4-8-21)27(34)30-25-13-23(28)19(6-10-26(32)33)12-22(25)18-5-9-24-20(11-18)14-29-31-24;1-16(2)11-17-3-5-18(6-4-17)27(34)30-25-14-23(28)20(8-10-26(32)33)13-22(25)19-7-9-24-21(12-19)15-29-31-24/h4-6,8-10,12-15,17H,7,11,16H2,1-3H3,(H,29,31)(H,30,34)(H,32,33);4-8,10,13-17H,9,11-12H2,1-3H3,(H,29,31)(H,30,34)(H,32,33);3-5,7-9,11-14,16H,6,10,15H2,1-2H3,(H,29,31)(H,30,34)(H,32,33);3-7,9,12-16H,8,10-11H2,1-2H3,(H,29,31)(H,30,34)(H,32,33)
InChIKeyIIXKMKYGQFSANG-UHFFFAOYSA-N
MW1895.07 g/mol
LogP24.39
Rot. Bonds34

About 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid

3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid (PubChem CID 158712599) has the molecular formula C110H110Cl2N12O14 and a molecular weight of 1895.07 g/mol. Its IUPAC name is 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid
PubChem CID158712599
Molecular FormulaC110H110Cl2N12O14
Molecular Weight1895.07 g/mol
Exact Mass1892.76
IUPAC Name3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid
SMILESCC(C)COc1ccc(C(=O)Nc2cc(Cl)c(CCC(=O)O)cc2-c2ccc3[nH]ncc3c2)cc1.CC(C)Cc1ccc(C(=O)Nc2cc(Cl)c(CCC(=O)O)cc2-c2ccc3[nH]ncc3c2)cc1.Cc1cc(NC(=O)c2ccc(CC(C)C)cc2)c(-c2ccc3[nH]ncc3c2)cc1CCC(=O)O.Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)c(-c2ccc3[nH]ncc3c2)cc1CCC(=O)O
InChIInChI=1S/C28H29N3O4.C28H29N3O3.C27H26ClN3O4.C27H26ClN3O3/c1-17(2)16-35-23-8-4-19(5-9-23)28(34)30-26-12-18(3)20(7-11-27(32)33)14-24(26)21-6-10-25-22(13-21)15-29-31-25;1-17(2)12-19-4-6-20(7-5-19)28(34)30-26-13-18(3)21(9-11-27(32)33)15-24(26)22-8-10-25-23(14-22)16-29-31-25;1-16(2)15-35-21-7-3-17(4-8-21)27(34)30-25-13-23(28)19(6-10-26(32)33)12-22(25)18-5-9-24-20(11-18)14-29-31-24;1-16(2)11-17-3-5-18(6-4-17)27(34)30-25-14-23(28)20(8-10-26(32)33)13-22(25)19-7-9-24-21(12-19)15-29-31-24/h4-6,8-10,12-15,17H,7,11,16H2,1-3H3,(H,29,31)(H,30,34)(H,32,33);4-8,10,13-17H,9,11-12H2,1-3H3,(H,29,31)(H,30,34)(H,32,33);3-5,7-9,11-14,16H,6,10,15H2,1-2H3,(H,29,31)(H,30,34)(H,32,33);3-7,9,12-16H,8,10-11H2,1-2H3,(H,29,31)(H,30,34)(H,32,33)
InChIKeyIIXKMKYGQFSANG-UHFFFAOYSA-N
XLogP24.39
TPSA398.78 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001895.07
LogP ≤ 524.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid with MolForge

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Related Compounds

3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid
CID 44511729
3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid
CID 44511730
3-[4-[(4-butoxybenzoyl)amino]-5-(1H-indazol-5-yl)-2-methylphenyl]propanoic acid
CID 44511733
3-[4-[(4-butoxybenzoyl)amino]-2-chloro-5-(1H-indazol-5-yl)phenyl]propanoic acid
CID 44511801
5-[(E)-1-[4-(6-bromohexoxy)phenyl]-2-(4-chloro-2-fluorophenyl)but-1-enyl]-1H-isoindole;6-[4-[(E)-2-(4-chloro-2-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]hexanoic acid;6-[4-[(E)-2-(4-chloro-2-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]hexan-1-ol;4-[[3-[4-[6-[4-[(E)-2-(4-chloro-2-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]hexyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride
CID 157845120
N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
CID 158121327
1-(2,4-dichlorophenyl)-2-(1H-indazol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-(1H-indazol-5-yl)ethanone;1-(3,4-dimethylphenyl)-2-(1H-indazol-5-yl)ethanone;1-(3-ethoxyphenyl)-2-(1H-indazol-5-yl)ethanone;1-(4-ethylphenyl)-2-(1H-indazol-5-yl)ethanone;2-(1H-indazol-5-yl)-1-(3-methoxyphenyl)ethanone;2-(1H-indazol-5-yl)-1-(4-propan-2-ylphenyl)ethanone;1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-5-yl)ethanone
CID 158399852
3-[4-[(4-butoxybenzoyl)amino]-2-chloro-5-(1H-indazol-5-yl)phenyl]propanoic acid;3-[4-[(4-butoxybenzoyl)amino]-5-(1H-indazol-5-yl)-2-methylphenyl]propanoic acid;3-[4-[(4-butylbenzoyl)amino]-2-chloro-5-(1H-indazol-5-yl)phenyl]propanoic acid;3-[4-[(4-butylbenzoyl)amino]-5-(1H-indazol-5-yl)-2-methylphenyl]propanoic acid
CID 160041083
3-[4-[(4-butylbenzoyl)amino]-5-(1H-indazol-5-yl)-2-methylphenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid
CID 161008061
3-[4-[(4-butoxybenzoyl)amino]-2-chloro-5-(1H-indazol-5-yl)phenyl]propanoic acid;3-[4-[(4-butoxybenzoyl)amino]-5-(1H-indazol-5-yl)-2-methylphenyl]propanoic acid;3-[4-[(4-butylbenzoyl)amino]-2-chloro-5-(1H-indazol-5-yl)phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[methyl(2-methylpropyl)amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[methyl(2-methylpropyl)amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-(2-methylpropylamino)phenyl]propanoic acid
CID 161277513
6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
CID 163466638

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid (CID 158712599) is 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid is CC(C)COc1ccc(C(=O)Nc2cc(Cl)c(CCC(=O)O)cc2-c2ccc3[nH]ncc3c2)cc1.CC(C)Cc1ccc(C(=O)Nc2cc(Cl)c(CCC(=O)O)cc2-c2ccc3[nH]ncc3c2)cc1.Cc1cc(NC(=O)c2ccc(CC(C)C)cc2)c(-c2ccc3[nH]ncc3c2)cc1CCC(=O)O.Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)c(-c2ccc3[nH]ncc3c2)cc1CCC(=O)O.
What is the InChIKey of 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid?
The InChIKey is IIXKMKYGQFSANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4.C28H29N3O3.C27H26ClN3O4.C27H26ClN3O3/c1-17(2)16-35-23-8-4-19(5-9-23)28(34)30-26-12-18(3)20(7-11-27(32)33)14-24(26)21-6-10-25-22(13-21)15-29-31-25;1-17(2)12-19-4-6-20(7-5-19)28(34)30-26-13-18(3)21(9-11-27(32)33)15-24(26)22-8-10-25-23(14-22)16-29-31-25;1-16(2)15-35-21-7-3-17(4-8-21)27(34)30-25-13-23(28)19(6-10-26(32)33)12-22(25)18-5-9-24-20(11-18)14-29-31-24;1-16(2)11-17-3-5-18(6-4-17)27(34)30-25-14-23(28)20(8-10-26(32)33)13-22(25)19-7-9-24-21(12-19)15-29-31-24/h4-6,8-10,12-15,17H,7,11,16H2,1-3H3,(H,29,31)(H,30,34)(H,32,33);4-8,10,13-17H,9,11-12H2,1-3H3,(H,29,31)(H,30,34)(H,32,33);3-5,7-9,11-14,16H,6,10,15H2,1-2H3,(H,29,31)(H,30,34)(H,32,33);3-7,9,12-16H,8,10-11H2,1-2H3,(H,29,31)(H,30,34)(H,32,33).
What are the key properties of 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid?
3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid has a molecular weight of 1895.07 g/mol, XLogP of 24.39, 34 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[2-chloro-5-(1H-indazol-5-yl)-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]propanoic acid;3-[5-(1H-indazol-5-yl)-2-methyl-4-[[4-(2-methylpropyl)benzoyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 158712599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).