2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid

C16H15N3O3 — CID 134170281

IUPAC2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
SMILESCc1ccc(Cn2c(OCC(=O)O)nc3cccnc32)cc1
InChIInChI=1S/C16H15N3O3/c1-11-4-6-12(7-5-11)9-19-15-13(3-2-8-17-15)18-16(19)22-10-14(20)21/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyPKOJNXKBPHRRND-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.25
Rot. Bonds5

About 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid

2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid (PubChem CID 134170281) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
PubChem CID134170281
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
SMILESCc1ccc(Cn2c(OCC(=O)O)nc3cccnc32)cc1
InChIInChI=1S/C16H15N3O3/c1-11-4-6-12(7-5-11)9-19-15-13(3-2-8-17-15)18-16(19)22-10-14(20)21/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyPKOJNXKBPHRRND-UHFFFAOYSA-N
XLogP2.25
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
CID 134170279
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide;methyl 2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetate
CID 159178619
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 134170294
1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 71628890
N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53022329
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164845
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568
3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53022332
[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 10852829
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid?
The IUPAC name of 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid (CID 134170281) is 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid?
The canonical SMILES for 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid is Cc1ccc(Cn2c(OCC(=O)O)nc3cccnc32)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid?
The InChIKey is PKOJNXKBPHRRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-4-6-12(7-5-11)9-19-15-13(3-2-8-17-15)18-16(19)22-10-14(20)21/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid?
2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid has a molecular weight of 297.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid is sourced from PubChem (CID 134170281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).