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

C23H19N5O3 — CID 155542044

IUPACmethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(Nc3ccc(OC)cc3)n2c1
InChIInChI=1S/C23H19N5O3/c1-30-18-7-5-17(6-8-18)25-22-21(15-3-9-19-24-11-12-27(19)13-15)26-20-10-4-16(14-28(20)22)23(29)31-2/h3-14,25H,1-2H3
InChIKeySDFZMUCTQYKSPR-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.19
Rot. Bonds5

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

methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155542044) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155542044
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Namemethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(Nc3ccc(OC)cc3)n2c1
InChIInChI=1S/C23H19N5O3/c1-30-18-7-5-17(6-8-18)25-22-21(15-3-9-19-24-11-12-27(19)13-15)26-20-10-4-16(14-28(20)22)23(29)31-2/h3-14,25H,1-2H3
InChIKeySDFZMUCTQYKSPR-UHFFFAOYSA-N
XLogP4.19
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate (CID 155542044) is methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(Nc3ccc(OC)cc3)n2c1.
What is the InChIKey of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is SDFZMUCTQYKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-30-18-7-5-17(6-8-18)25-22-21(15-3-9-19-24-11-12-27(19)13-15)26-20-10-4-16(14-28(20)22)23(29)31-2/h3-14,25H,1-2H3.
What are the key properties of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 413.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155542044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).