tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate

C14H16FN3O3 — CID 146284988

IUPACtert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate
SMILESCC(=O)c1nc2nc(C)n(C(=O)OC(C)(C)C)c2cc1F
InChIInChI=1S/C14H16FN3O3/c1-7(19)11-9(15)6-10-12(17-11)16-8(2)18(10)13(20)21-14(3,4)5/h6H,1-5H3
InChIKeyOCEVJDBXKDGDAO-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.86
Rot. Bonds1

About tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate

tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate (PubChem CID 146284988) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate
PubChem CID146284988
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Nametert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate
SMILESCC(=O)c1nc2nc(C)n(C(=O)OC(C)(C)C)c2cc1F
InChIInChI=1S/C14H16FN3O3/c1-7(19)11-9(15)6-10-12(17-11)16-8(2)18(10)13(20)21-14(3,4)5/h6H,1-5H3
InChIKeyOCEVJDBXKDGDAO-UHFFFAOYSA-N
XLogP2.86
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
CID 143547748
tert-butyl 2-chloro-5-methylbenzimidazole-1-carboxylate
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CID 155599148
tert-butyl 2-acetyl-3-fluoroindole-1-carboxylate
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1-O-tert-butyl 2-O-methyl 4-fluoro-6-methylindole-1,2-dicarboxylate
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CID 165134332
CID 165134332
tert-butyl 2-chloro-5-fluoroindole-1-carboxylate
CID 125116334
tert-butyl 5-amino-2-(4-methoxyphenyl)benzimidazole-1-carboxylate
CID 139827234
acetic acid;tert-butyl 5-hydroxy-2-methylindole-1-carboxylate
CID 18914660
ditert-butyl 2,10-difluoro-6-methylindolo[2,3-b]carbazole-5,7-dicarboxylate
CID 67212019
1-O-tert-butyl 4-O-methyl 2-methyl-6-(4-phenylmethoxyphenyl)benzimidazole-1,4-dicarboxylate
CID 135313346

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate (CID 146284988) is tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate is CC(=O)c1nc2nc(C)n(C(=O)OC(C)(C)C)c2cc1F.
What is the InChIKey of tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate?
The InChIKey is OCEVJDBXKDGDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-7(19)11-9(15)6-10-12(17-11)16-8(2)18(10)13(20)21-14(3,4)5/h6H,1-5H3.
What are the key properties of tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate?
tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate has a molecular weight of 293.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-acetyl-6-fluoro-2-methylimidazo[4,5-b]pyridine-1-carboxylate is sourced from PubChem (CID 146284988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).