methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate

C24H22N2O4 — CID 71617693

IUPACmethyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C24H22N2O4/c1-26-14-20(18-10-11-25-23(18)24(26)28)19-12-17(13-22(27)29-2)8-9-21(19)30-15-16-6-4-3-5-7-16/h3-12,14,25H,13,15H2,1-2H3
InChIKeyGWPQVXLJIGYJIR-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.83
Rot. Bonds6

About methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate

methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate (PubChem CID 71617693) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate
PubChem CID71617693
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namemethyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C24H22N2O4/c1-26-14-20(18-10-11-25-23(18)24(26)28)19-12-17(13-22(27)29-2)8-9-21(19)30-15-16-6-4-3-5-7-16/h3-12,14,25H,13,15H2,1-2H3
InChIKeyGWPQVXLJIGYJIR-UHFFFAOYSA-N
XLogP3.83
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate?
The IUPAC name of methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate (CID 71617693) is methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate?
The canonical SMILES for methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate is COC(=O)Cc1ccc(OCc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate?
The InChIKey is GWPQVXLJIGYJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-26-14-20(18-10-11-25-23(18)24(26)28)19-12-17(13-22(27)29-2)8-9-21(19)30-15-16-6-4-3-5-7-16/h3-12,14,25H,13,15H2,1-2H3.
What are the key properties of methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate?
methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate has a molecular weight of 402.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetate is sourced from PubChem (CID 71617693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).