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

C22H24N6O3 — CID 155566957

IUPACmethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(NCCN3CCOCC3)n2c1
InChIInChI=1S/C22H24N6O3/c1-30-22(29)17-3-5-19-25-20(16-2-4-18-23-7-9-27(18)14-16)21(28(19)15-17)24-6-8-26-10-12-31-13-11-26/h2-5,7,9,14-15,24H,6,8,10-13H2,1H3
InChIKeyPTSSPPZJQCULTJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.18
Rot. Bonds6

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

methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155566957) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155566957
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Namemethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(NCCN3CCOCC3)n2c1
InChIInChI=1S/C22H24N6O3/c1-30-22(29)17-3-5-19-25-20(16-2-4-18-23-7-9-27(18)14-16)21(28(19)15-17)24-6-8-26-10-12-31-13-11-26/h2-5,7,9,14-15,24H,6,8,10-13H2,1H3
InChIKeyPTSSPPZJQCULTJ-UHFFFAOYSA-N
XLogP2.18
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate (CID 155566957) is methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(NCCN3CCOCC3)n2c1.
What is the InChIKey of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is PTSSPPZJQCULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-30-22(29)17-3-5-19-25-20(16-2-4-18-23-7-9-27(18)14-16)21(28(19)15-17)24-6-8-26-10-12-31-13-11-26/h2-5,7,9,14-15,24H,6,8,10-13H2,1H3.
What are the key properties of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155566957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).