ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate

C21H18N4O2 — CID 122478394

IUPACethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cccnc3-c3cccc(C)n3)ccc2n1
InChIInChI=1S/C21H18N4O2/c1-3-27-21(26)18-13-25-12-15(9-10-19(25)24-18)16-7-5-11-22-20(16)17-8-4-6-14(2)23-17/h4-13H,3H2,1-2H3
InChIKeyCLCQZYFKDJIJLM-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.94
Rot. Bonds4

About ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 122478394) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID122478394
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Nameethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cccnc3-c3cccc(C)n3)ccc2n1
InChIInChI=1S/C21H18N4O2/c1-3-27-21(26)18-13-25-12-15(9-10-19(25)24-18)16-7-5-11-22-20(16)17-8-4-6-14(2)23-17/h4-13H,3H2,1-2H3
InChIKeyCLCQZYFKDJIJLM-UHFFFAOYSA-N
XLogP3.94
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate (CID 122478394) is ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cccnc3-c3cccc(C)n3)ccc2n1.
What is the InChIKey of ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CLCQZYFKDJIJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-3-27-21(26)18-13-25-12-15(9-10-19(25)24-18)16-7-5-11-22-20(16)17-8-4-6-14(2)23-17/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 122478394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).