2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid

C16H15N3O4 — CID 167890564

IUPAC2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid
SMILESCOc1cc(-c2nc3nc(C)ccc3[nH]2)ccc1OCC(=O)O
InChIInChI=1S/C16H15N3O4/c1-9-3-5-11-16(17-9)19-15(18-11)10-4-6-12(13(7-10)22-2)23-8-14(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyMFLAAQKXMDSYAO-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid

2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid (PubChem CID 167890564) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid
PubChem CID167890564
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid
SMILESCOc1cc(-c2nc3nc(C)ccc3[nH]2)ccc1OCC(=O)O
InChIInChI=1S/C16H15N3O4/c1-9-3-5-11-16(17-9)19-15(18-11)10-4-6-12(13(7-10)22-2)23-8-14(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyMFLAAQKXMDSYAO-UHFFFAOYSA-N
XLogP2.41
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid (CID 167890564) is 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid is COc1cc(-c2nc3nc(C)ccc3[nH]2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid?
The InChIKey is MFLAAQKXMDSYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-3-5-11-16(17-9)19-15(18-11)10-4-6-12(13(7-10)22-2)23-8-14(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid?
2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 167890564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).