ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate

C24H22N2O3 — CID 71694793

IUPACethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n(C)c2cc(-c3cccnc3)c(OC)cc12
InChIInChI=1S/C24H22N2O3/c1-4-29-24(27)22-19-14-21(28-3)18(17-11-8-12-25-15-17)13-20(19)26(2)23(22)16-9-6-5-7-10-16/h5-15H,4H2,1-3H3
InChIKeyYPRPXCFDSKVOPC-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.09
Rot. Bonds5

About ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate

ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate (PubChem CID 71694793) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate
PubChem CID71694793
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Nameethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n(C)c2cc(-c3cccnc3)c(OC)cc12
InChIInChI=1S/C24H22N2O3/c1-4-29-24(27)22-19-14-21(28-3)18(17-11-8-12-25-15-17)13-20(19)26(2)23(22)16-9-6-5-7-10-16/h5-15H,4H2,1-3H3
InChIKeyYPRPXCFDSKVOPC-UHFFFAOYSA-N
XLogP5.09
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-hydroxy-1-methyl-2-(4-nitrophenyl)-6-pyridin-3-ylindole-3-carboxylate
CID 71694794
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583
ethyl 2-(benzenesulfinylmethyl)-5-hydroxy-1-methyl-6-pyridin-3-ylindole-3-carboxylate
CID 71033051
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 6-(benzenesulfinylmethyl)-2-methoxy-3-pyridin-3-ylbenzoate
CID 129083982
ethyl 6-bromo-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 748686
3-(5-ethoxy-2-methoxy-4-methylphenyl)pyridine
CID 159955267
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate (CID 71694793) is ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)n(C)c2cc(-c3cccnc3)c(OC)cc12.
What is the InChIKey of ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate?
The InChIKey is YPRPXCFDSKVOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-4-29-24(27)22-19-14-21(28-3)18(17-11-8-12-25-15-17)13-20(19)26(2)23(22)16-9-6-5-7-10-16/h5-15H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate?
ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate is sourced from PubChem (CID 71694793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).