2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide

C23H22FN5O2 — CID 24854757

IUPAC2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2cc(N)ccc2OCC(N)=O)nc2ccc(F)cn12
InChIInChI=1S/C23H22FN5O2/c1-13-4-3-5-14(2)21(13)28-23-22(27-20-9-6-15(24)11-29(20)23)17-10-16(25)7-8-18(17)31-12-19(26)30/h3-11,28H,12,25H2,1-2H3,(H2,26,30)
InChIKeyZKUNELBBWJIKOK-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.95
Rot. Bonds6

About 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide

2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (PubChem CID 24854757) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
PubChem CID24854757
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2cc(N)ccc2OCC(N)=O)nc2ccc(F)cn12
InChIInChI=1S/C23H22FN5O2/c1-13-4-3-5-14(2)21(13)28-23-22(27-20-9-6-15(24)11-29(20)23)17-10-16(25)7-8-18(17)31-12-19(26)30/h3-11,28H,12,25H2,1-2H3,(H2,26,30)
InChIKeyZKUNELBBWJIKOK-UHFFFAOYSA-N
XLogP3.95
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-amino-2-oxoethoxy)-4-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-ethylphenoxy]acetamide
CID 67349337
2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide
CID 67350656
2-[2-[6-cyano-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67351019
2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
CID 87365965
2-[2-[6-fluoro-3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
CID 67349425
2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855245
2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
CID 67352744
2-[3-cyano-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67350699
2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide
CID 24987557
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide
CID 24854821
2-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenoxy]acetamide
CID 24855191
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide
CID 58387816

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (CID 24854757) is 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is Cc1cccc(C)c1Nc1c(-c2cc(N)ccc2OCC(N)=O)nc2ccc(F)cn12.
What is the InChIKey of 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The InChIKey is ZKUNELBBWJIKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-13-4-3-5-14(2)21(13)28-23-22(27-20-9-6-15(24)11-29(20)23)17-10-16(25)7-8-18(17)31-12-19(26)30/h3-11,28H,12,25H2,1-2H3,(H2,26,30).
What are the key properties of 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide has a molecular weight of 419.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24854757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).