methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate

C24H19FN2O3 — CID 134853417

IUPACmethyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=C(F)c2cc3c(OC)cccc3n2-c2ccccn2)cc1
InChIInChI=1S/C24H19FN2O3/c1-29-22-7-5-6-20-18(22)15-21(27(20)23-8-3-4-13-26-23)19(25)14-16-9-11-17(12-10-16)24(28)30-2/h3-15H,1-2H3
InChIKeyWFYSZIQCAQQFSM-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.29
Rot. Bonds5

About methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate

methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate (PubChem CID 134853417) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate
PubChem CID134853417
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Namemethyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=C(F)c2cc3c(OC)cccc3n2-c2ccccn2)cc1
InChIInChI=1S/C24H19FN2O3/c1-29-22-7-5-6-20-18(22)15-21(27(20)23-8-3-4-13-26-23)19(25)14-16-9-11-17(12-10-16)24(28)30-2/h3-15H,1-2H3
InChIKeyWFYSZIQCAQQFSM-UHFFFAOYSA-N
XLogP5.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate?
The IUPAC name of methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate (CID 134853417) is methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate is COC(=O)c1ccc(C=C(F)c2cc3c(OC)cccc3n2-c2ccccn2)cc1.
What is the InChIKey of methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate?
The InChIKey is WFYSZIQCAQQFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-29-22-7-5-6-20-18(22)15-21(27(20)23-8-3-4-13-26-23)19(25)14-16-9-11-17(12-10-16)24(28)30-2/h3-15H,1-2H3.
What are the key properties of methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate?
methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate has a molecular weight of 402.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-fluoro-2-(4-methoxy-1-pyridin-2-ylindol-2-yl)ethenyl]benzoate is sourced from PubChem (CID 134853417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).