2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide

C23H21FN4O2 — CID 24855245

IUPAC2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OCC(N)=O)nc2cccc(F)n12
InChIInChI=1S/C23H21FN4O2/c1-14-7-5-8-15(2)21(14)27-23-22(26-20-12-6-11-18(24)28(20)23)16-9-3-4-10-17(16)30-13-19(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29)
InChIKeyCWNGHWBNEXBSEH-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.36
Rot. Bonds6

About 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide

2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (PubChem CID 24855245) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
PubChem CID24855245
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OCC(N)=O)nc2cccc(F)n12
InChIInChI=1S/C23H21FN4O2/c1-14-7-5-8-15(2)21(14)27-23-22(26-20-12-6-11-18(24)28(20)23)16-9-3-4-10-17(16)30-13-19(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29)
InChIKeyCWNGHWBNEXBSEH-UHFFFAOYSA-N
XLogP4.36
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-[6-cyano-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67351019
2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24854757
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide
CID 24854821
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide
CID 67350642
2-[3-cyano-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67350699
2-[3-(2-amino-2-oxoethoxy)-4-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-ethylphenoxy]acetamide
CID 67349337
3-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenyl]propanamide
CID 58387815
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)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide
CID 67350656
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide
CID 58387816
2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide
CID 24987557
2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide
CID 67350304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (CID 24855245) is 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is Cc1cccc(C)c1Nc1c(-c2ccccc2OCC(N)=O)nc2cccc(F)n12.
What is the InChIKey of 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The InChIKey is CWNGHWBNEXBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-7-5-8-15(2)21(14)27-23-22(26-20-12-6-11-18(24)28(20)23)16-9-3-4-10-17(16)30-13-19(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29).
What are the key properties of 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide has a molecular weight of 404.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24855245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).