methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate

C16H15N3O4 — CID 19821943

IUPACmethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1
InChIInChI=1S/C16H15N3O4/c1-21-14-7-10(23-9-15(20)22-2)3-4-11(14)16-18-12-5-6-17-8-13(12)19-16/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLCFIMOOZFYGULQ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.19
Rot. Bonds5

About methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate

methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate (PubChem CID 19821943) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate
PubChem CID19821943
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Namemethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1
InChIInChI=1S/C16H15N3O4/c1-21-14-7-10(23-9-15(20)22-2)3-4-11(14)16-18-12-5-6-17-8-13(12)19-16/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLCFIMOOZFYGULQ-UHFFFAOYSA-N
XLogP2.19
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate (CID 19821943) is methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate is COC(=O)COc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1.
What is the InChIKey of methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate?
The InChIKey is LCFIMOOZFYGULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-21-14-7-10(23-9-15(20)22-2)3-4-11(14)16-18-12-5-6-17-8-13(12)19-16/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate?
methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate has a molecular weight of 313.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate is sourced from PubChem (CID 19821943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).