5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate

C14H21N3O4 — CID 146158040

IUPAC5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1nc2c(n1C)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-7-6-9-10(8-17)16(4)11(15-9)12(18)20-5/h6-8H2,1-5H3
InChIKeyFBURIZPPSDUOMD-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.50
Rot. Bonds1

About 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate

5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate (PubChem CID 146158040) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate
PubChem CID146158040
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1nc2c(n1C)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-7-6-9-10(8-17)16(4)11(15-9)12(18)20-5/h6-8H2,1-5H3
InChIKeyFBURIZPPSDUOMD-UHFFFAOYSA-N
XLogP1.50
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate?
The IUPAC name of 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate (CID 146158040) is 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate.
What is the SMILES notation for 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate?
The canonical SMILES for 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate is COC(=O)c1nc2c(n1C)CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate?
The InChIKey is FBURIZPPSDUOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-7-6-9-10(8-17)16(4)11(15-9)12(18)20-5/h6-8H2,1-5H3.
What are the key properties of 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate?
5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate is sourced from PubChem (CID 146158040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).