4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol

C21H19FN4O2 — CID 89224878

IUPAC4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(-c2nc3cc(C)ccn3c2Nc2cccc(N)c2)cc(F)c1O
InChIInChI=1S/C21H19FN4O2/c1-12-6-7-26-18(8-12)25-19(13-9-16(22)20(27)17(10-13)28-2)21(26)24-15-5-3-4-14(23)11-15/h3-11,24,27H,23H2,1-2H3
InChIKeyGAHGBHGWIZSINS-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.49
Rot. Bonds4

About 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol

4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol (PubChem CID 89224878) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol
PubChem CID89224878
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(-c2nc3cc(C)ccn3c2Nc2cccc(N)c2)cc(F)c1O
InChIInChI=1S/C21H19FN4O2/c1-12-6-7-26-18(8-12)25-19(13-9-16(22)20(27)17(10-13)28-2)21(26)24-15-5-3-4-14(23)11-15/h3-11,24,27H,23H2,1-2H3
InChIKeyGAHGBHGWIZSINS-UHFFFAOYSA-N
XLogP4.49
TPSA84.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol?
The IUPAC name of 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol (CID 89224878) is 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol.
What is the SMILES notation for 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol?
The canonical SMILES for 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol is COc1cc(-c2nc3cc(C)ccn3c2Nc2cccc(N)c2)cc(F)c1O.
What is the InChIKey of 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol?
The InChIKey is GAHGBHGWIZSINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-6-7-26-18(8-12)25-19(13-9-16(22)20(27)17(10-13)28-2)21(26)24-15-5-3-4-14(23)11-15/h3-11,24,27H,23H2,1-2H3.
What are the key properties of 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol?
4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol has a molecular weight of 378.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminoanilino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-6-methoxyphenol is sourced from PubChem (CID 89224878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).