methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate

C20H19F2N3O3 — CID 169077893

IUPACmethyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate
SMILESCOC(=O)c1cc(-c2cc(N3CCOCC3)c3ncc(F)n3c2)c(C)cc1F
InChIInChI=1S/C20H19F2N3O3/c1-12-7-16(21)15(20(26)27-2)9-14(12)13-8-17(24-3-5-28-6-4-24)19-23-10-18(22)25(19)11-13/h7-11H,3-6H2,1-2H3
InChIKeyBZRVXKDILDEFLX-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.21
Rot. Bonds3

About methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate

methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate (PubChem CID 169077893) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate
PubChem CID169077893
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Namemethyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate
SMILESCOC(=O)c1cc(-c2cc(N3CCOCC3)c3ncc(F)n3c2)c(C)cc1F
InChIInChI=1S/C20H19F2N3O3/c1-12-7-16(21)15(20(26)27-2)9-14(12)13-8-17(24-3-5-28-6-4-24)19-23-10-18(22)25(19)11-13/h7-11H,3-6H2,1-2H3
InChIKeyBZRVXKDILDEFLX-UHFFFAOYSA-N
XLogP3.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate with MolForge

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Related Compounds

methyl 2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzoate
CID 169130803
methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate
CID 169077757
2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
CID 169130860
methyl 2-fluoro-5-morpholin-4-yl-4-nitrobenzoate
CID 104699514
N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 169130879
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
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
methyl 5-(3-aminophenyl)-2-fluoro-4-methylbenzoate
CID 171905843
2-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
CID 169077793
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]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 176698073
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
(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

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate?
The IUPAC name of methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate (CID 169077893) is methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate.
What is the SMILES notation for methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate?
The canonical SMILES for methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate is COC(=O)c1cc(-c2cc(N3CCOCC3)c3ncc(F)n3c2)c(C)cc1F.
What is the InChIKey of methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate?
The InChIKey is BZRVXKDILDEFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-12-7-16(21)15(20(26)27-2)9-14(12)13-8-17(24-3-5-28-6-4-24)19-23-10-18(22)25(19)11-13/h7-11H,3-6H2,1-2H3.
What are the key properties of methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate?
methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate has a molecular weight of 387.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-(3-fluoro-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-4-methylbenzoate is sourced from PubChem (CID 169077893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).