methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate

C21H22FN3O3 — CID 169130803

IUPACmethyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate
SMILESCOC(=O)c1cc(-c2cc(N3CCOCC3)c3nc(C)cn3c2)c(C)cc1F
InChIInChI=1S/C21H22FN3O3/c1-13-8-18(22)17(21(26)27-3)10-16(13)15-9-19(24-4-6-28-7-5-24)20-23-14(2)11-25(20)12-15/h8-12H,4-7H2,1-3H3
InChIKeyBFGDLRKXLOAXKF-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.38
Rot. Bonds3

About methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate

methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate (PubChem CID 169130803) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate
PubChem CID169130803
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Namemethyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate
SMILESCOC(=O)c1cc(-c2cc(N3CCOCC3)c3nc(C)cn3c2)c(C)cc1F
InChIInChI=1S/C21H22FN3O3/c1-13-8-18(22)17(21(26)27-3)10-16(13)15-9-19(24-4-6-28-7-5-24)20-23-14(2)11-25(20)12-15/h8-12H,4-7H2,1-3H3
InChIKeyBFGDLRKXLOAXKF-UHFFFAOYSA-N
XLogP3.38
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate with MolForge

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Related Compounds

methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate
CID 169077757
methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate
CID 169077893
N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 169130879
2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
CID 169130860
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)morpholine
CID 169077602
(3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 169077610
methyl 2-fluoro-5-morpholin-4-yl-4-nitrobenzoate
CID 104699514
1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
CID 169077945
N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 170237490
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]pyrazole-4-carboxamide
CID 169077763
(3R)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 169077628
N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(1-methylcyclopropyl)pyrrolidine-1-carboxamide
CID 169077653

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate?
The IUPAC name of methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate (CID 169130803) is methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate is COC(=O)c1cc(-c2cc(N3CCOCC3)c3nc(C)cn3c2)c(C)cc1F.
What is the InChIKey of methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate?
The InChIKey is BFGDLRKXLOAXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-13-8-18(22)17(21(26)27-3)10-16(13)15-9-19(24-4-6-28-7-5-24)20-23-14(2)11-25(20)12-15/h8-12H,4-7H2,1-3H3.
What are the key properties of methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate?
methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate has a molecular weight of 383.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate is sourced from PubChem (CID 169130803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).