[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate

C19H17N3O5 — CID 33057679

IUPAC[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C19H17N3O5/c1-11-3-4-12(18(24)26-2)7-15(11)21-17(23)10-27-19(25)13-5-6-14-9-20-22-16(14)8-13/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySOKLTTLJADOSLD-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.45
Rot. Bonds5

About [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate

[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate (PubChem CID 33057679) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate.

Molecular Properties

Compound Name[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
PubChem CID33057679
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C19H17N3O5/c1-11-3-4-12(18(24)26-2)7-15(11)21-17(23)10-27-19(25)13-5-6-14-9-20-22-16(14)8-13/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySOKLTTLJADOSLD-UHFFFAOYSA-N
XLogP2.45
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33056529
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1H-indazole-6-carboxylate
CID 55528323
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507285
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416041
methyl 3-[[2-(5-fluoro-2-methylbenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 17392365
methyl 3-[[2-(2,4-dihydroxybenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 7870727
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
methyl 4-methyl-3-[[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]amino]benzoate
CID 7806369
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057649
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057350
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
CID 2510209
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
CID 43048612

Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate?
The IUPAC name of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate (CID 33057679) is [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate.
What is the SMILES notation for [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate?
The canonical SMILES for [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate is COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc3cn[nH]c3c2)c1.
What is the InChIKey of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate?
The InChIKey is SOKLTTLJADOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-11-3-4-12(18(24)26-2)7-15(11)21-17(23)10-27-19(25)13-5-6-14-9-20-22-16(14)8-13/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate?
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate is sourced from PubChem (CID 33057679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).