1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid

C23H25N3O6 — CID 58710808

IUPAC1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
SMILESCOC(=O)Cn1c2c(C(=O)O)cccc2c(=O)n1C(=O)NCc1c(C)cccc1C(C)C
InChIInChI=1S/C23H25N3O6/c1-13(2)15-8-5-7-14(3)18(15)11-24-23(31)26-21(28)16-9-6-10-17(22(29)30)20(16)25(26)12-19(27)32-4/h5-10,13H,11-12H2,1-4H3,(H,24,31)(H,29,30)
InChIKeyAYXXORQUQWFRNW-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid

1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid (PubChem CID 58710808) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
PubChem CID58710808
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
SMILESCOC(=O)Cn1c2c(C(=O)O)cccc2c(=O)n1C(=O)NCc1c(C)cccc1C(C)C
InChIInChI=1S/C23H25N3O6/c1-13(2)15-8-5-7-14(3)18(15)11-24-23(31)26-21(28)16-9-6-10-17(22(29)30)20(16)25(26)12-19(27)32-4/h5-10,13H,11-12H2,1-4H3,(H,24,31)(H,29,30)
InChIKeyAYXXORQUQWFRNW-UHFFFAOYSA-N
XLogP2.86
TPSA119.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid with MolForge

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Related Compounds

1-(cyclopropylmethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid
CID 11293090
benzhydryl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylate
CID 58710833
[1-benzyl-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazol-7-yl] hydrogen carbonate
CID 68840880
3-amino-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoylcarbamoyl]benzoic acid
CID 142955405
2-(ethylamino)-3-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoylcarbamoyl]benzoic acid
CID 142955429
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid
CID 11245135
1,3-di(propan-2-yl)indole-7-carboxylic acid
CID 83945414
methyl 2-[2-(aminomethyl)-3-propan-2-ylphenyl]acetate
CID 174486187
4-(acetamidomethyl)-3-methoxynaphthalene-1,8-dicarboxylic acid
CID 142641728
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
2-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997388

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid (CID 58710808) is 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid is COC(=O)Cn1c2c(C(=O)O)cccc2c(=O)n1C(=O)NCc1c(C)cccc1C(C)C.
What is the InChIKey of 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
The InChIKey is AYXXORQUQWFRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-13(2)15-8-5-7-14(3)18(15)11-24-23(31)26-21(28)16-9-6-10-17(22(29)30)20(16)25(26)12-19(27)32-4/h5-10,13H,11-12H2,1-4H3,(H,24,31)(H,29,30).
What are the key properties of 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid?
1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid has a molecular weight of 439.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-oxoethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid is sourced from PubChem (CID 58710808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).