[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

C29H23N3O5 — CID 32615436

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESO=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C29H23N3O5/c33-25(27-22-13-7-8-14-23(22)30-28(27)20-9-3-1-4-10-20)19-37-29(35)24-15-16-26(34)32(31-24)17-18-36-21-11-5-2-6-12-21/h1-16,30H,17-19H2
InChIKeyIROPQISDUMCXIZ-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.51
Rot. Bonds9

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (PubChem CID 32615436) has the molecular formula C29H23N3O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
PubChem CID32615436
Molecular FormulaC29H23N3O5
Molecular Weight493.52 g/mol
Exact Mass493.16
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESO=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C29H23N3O5/c33-25(27-22-13-7-8-14-23(22)30-28(27)20-9-3-1-4-10-20)19-37-29(35)24-15-16-26(34)32(31-24)17-18-36-21-11-5-2-6-12-21/h1-16,30H,17-19H2
InChIKeyIROPQISDUMCXIZ-UHFFFAOYSA-N
XLogP4.51
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 41489883
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
[2-(N-ethylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628831
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
CID 8804245
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32614789
2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 47069511
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628786
[2-(4-tert-butylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27426793
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27427785
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615736
(2,4,6-trichlorophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615981
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 4877266

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (CID 32615436) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The InChIKey is IROPQISDUMCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O5/c33-25(27-22-13-7-8-14-23(22)30-28(27)20-9-3-1-4-10-20)19-37-29(35)24-15-16-26(34)32(31-24)17-18-36-21-11-5-2-6-12-21/h1-16,30H,17-19H2.
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate has a molecular weight of 493.52 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 32615436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).