methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate

C16H10Cl2N4O3 — CID 47091343

IUPACmethyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(=O)n(Cc2cn3cc(Cl)cc(Cl)c3n2)c1
InChIInChI=1S/C16H10Cl2N4O3/c1-25-16(24)10-2-9(4-19)15(23)22(5-10)8-12-7-21-6-11(17)3-13(18)14(21)20-12/h2-3,5-7H,8H2,1H3
InChIKeyRAGQOGAIATYMRO-UHFFFAOYSA-N
MW377.19 g/mol
LogP2.51
Rot. Bonds3

About methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate

methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate (PubChem CID 47091343) has the molecular formula C16H10Cl2N4O3 and a molecular weight of 377.19 g/mol. Its IUPAC name is methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate
PubChem CID47091343
Molecular FormulaC16H10Cl2N4O3
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Namemethyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(=O)n(Cc2cn3cc(Cl)cc(Cl)c3n2)c1
InChIInChI=1S/C16H10Cl2N4O3/c1-25-16(24)10-2-9(4-19)15(23)22(5-10)8-12-7-21-6-11(17)3-13(18)14(21)20-12/h2-3,5-7H,8H2,1H3
InChIKeyRAGQOGAIATYMRO-UHFFFAOYSA-N
XLogP2.51
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate (CID 47091343) is methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1cc(C#N)c(=O)n(Cc2cn3cc(Cl)cc(Cl)c3n2)c1.
What is the InChIKey of methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is RAGQOGAIATYMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3/c1-25-16(24)10-2-9(4-19)15(23)22(5-10)8-12-7-21-6-11(17)3-13(18)14(21)20-12/h2-3,5-7H,8H2,1H3.
What are the key properties of methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate?
methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 377.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 47091343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).