2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline

C15H16N4O — CID 115411353

IUPAC2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline
SMILESCCn1c(-c2ccc(OC)cc2N)nc2cccnc21
InChIInChI=1S/C15H16N4O/c1-3-19-14(18-13-5-4-8-17-15(13)19)11-7-6-10(20-2)9-12(11)16/h4-9H,3,16H2,1-2H3
InChIKeyIYBLMCHGCQCIMA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.71
Rot. Bonds3

About 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline

2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline (PubChem CID 115411353) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline
PubChem CID115411353
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline
SMILESCCn1c(-c2ccc(OC)cc2N)nc2cccnc21
InChIInChI=1S/C15H16N4O/c1-3-19-14(18-13-5-4-8-17-15(13)19)11-7-6-10(20-2)9-12(11)16/h4-9H,3,16H2,1-2H3
InChIKeyIYBLMCHGCQCIMA-UHFFFAOYSA-N
XLogP2.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352
3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 55241902
4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 115296275
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
CID 63758337
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789710
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol
CID 63757477
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 63757128
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164845
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)phenol
CID 63757136

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline?
The IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline (CID 115411353) is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline.
What is the SMILES notation for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline?
The canonical SMILES for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline is CCn1c(-c2ccc(OC)cc2N)nc2cccnc21.
What is the InChIKey of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline?
The InChIKey is IYBLMCHGCQCIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-19-14(18-13-5-4-8-17-15(13)19)11-7-6-10(20-2)9-12(11)16/h4-9H,3,16H2,1-2H3.
What are the key properties of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline?
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline has a molecular weight of 268.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline is sourced from PubChem (CID 115411353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).