ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate

C15H21N3O2 — CID 79471499

IUPACethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc2nccc(C)c2[nH]1
InChIInChI=1S/C15H21N3O2/c1-5-15(6-2,14(19)20-7-3)13-17-11-10(4)8-9-16-12(11)18-13/h8-9H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyQPKNJFUXFCDXQY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate

ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate (PubChem CID 79471499) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate
PubChem CID79471499
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc2nccc(C)c2[nH]1
InChIInChI=1S/C15H21N3O2/c1-5-15(6-2,14(19)20-7-3)13-17-11-10(4)8-9-16-12(11)18-13/h8-9H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyQPKNJFUXFCDXQY-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
The IUPAC name of ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate (CID 79471499) is ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate is CCOC(=O)C(CC)(CC)c1nc2nccc(C)c2[nH]1.
What is the InChIKey of ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
The InChIKey is QPKNJFUXFCDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-15(6-2,14(19)20-7-3)13-17-11-10(4)8-9-16-12(11)18-13/h8-9H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate has a molecular weight of 275.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butanoate is sourced from PubChem (CID 79471499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).