methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate

C20H19N5O3 — CID 155552323

IUPACmethyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(Nc3ccc(OC)cc3)n2c1
InChIInChI=1S/C20H19N5O3/c1-12-21-10-16(22-12)18-19(23-14-5-7-15(27-2)8-6-14)25-11-13(20(26)28-3)4-9-17(25)24-18/h4-11,23H,1-3H3,(H,21,22)
InChIKeyGLIOSOGDSIBUTD-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.57
Rot. Bonds5

About methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155552323) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155552323
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Namemethyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(Nc3ccc(OC)cc3)n2c1
InChIInChI=1S/C20H19N5O3/c1-12-21-10-16(22-12)18-19(23-14-5-7-15(27-2)8-6-14)25-11-13(20(26)28-3)4-9-17(25)24-18/h4-11,23H,1-3H3,(H,21,22)
InChIKeyGLIOSOGDSIBUTD-UHFFFAOYSA-N
XLogP3.57
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 155552323) is methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(Nc3ccc(OC)cc3)n2c1.
What is the InChIKey of methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is GLIOSOGDSIBUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-21-10-16(22-12)18-19(23-14-5-7-15(27-2)8-6-14)25-11-13(20(26)28-3)4-9-17(25)24-18/h4-11,23H,1-3H3,(H,21,22).
What are the key properties of methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155552323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).