[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

C18H17N3O4 — CID 7372528

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H17N3O4/c1-24-13-6-4-5-12(9-13)10-19-16(22)11-25-18(23)17-14-7-2-3-8-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyVGGDZESICYNSFU-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.04
Rot. Bonds6

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 7372528) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID7372528
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H17N3O4/c1-24-13-6-4-5-12(9-13)10-19-16(22)11-25-18(23)17-14-7-2-3-8-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyVGGDZESICYNSFU-UHFFFAOYSA-N
XLogP2.04
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288266
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99433632
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288047
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776937
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014074
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875944

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 7372528) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is COc1cccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is VGGDZESICYNSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-13-6-4-5-12(9-13)10-19-16(22)11-25-18(23)17-14-7-2-3-8-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7372528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).