methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate

C11H13N3O2 — CID 18693152

IUPACmethyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCc1nc2nc(C(=O)OC)cc(C)c2[nH]1
InChIInChI=1S/C11H13N3O2/c1-4-8-13-9-6(2)5-7(11(15)16-3)12-10(9)14-8/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyCKHUFDKHYVSTKD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate

methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 18693152) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
PubChem CID18693152
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCc1nc2nc(C(=O)OC)cc(C)c2[nH]1
InChIInChI=1S/C11H13N3O2/c1-4-8-13-9-6(2)5-7(11(15)16-3)12-10(9)14-8/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyCKHUFDKHYVSTKD-UHFFFAOYSA-N
XLogP1.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride
CID 67885903
methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate
CID 169110497
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
CID 6461919
methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate
CID 144808196
methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
CID 134966576
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
CID 142582005
methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate
CID 72942071

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate (CID 18693152) is methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate is CCc1nc2nc(C(=O)OC)cc(C)c2[nH]1.
What is the InChIKey of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is CKHUFDKHYVSTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-8-13-9-6(2)5-7(11(15)16-3)12-10(9)14-8/h5H,4H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 18693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).