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

C19H24N6O3 — CID 154620342

IUPACmethyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3nc[nH]c3C)c(NCCN3CCOCC3)n2c1
InChIInChI=1S/C19H24N6O3/c1-13-16(22-12-21-13)17-18(20-5-6-24-7-9-28-10-8-24)25-11-14(19(26)27-2)3-4-15(25)23-17/h3-4,11-12,20H,5-10H2,1-2H3,(H,21,22)
InChIKeyQHUTYZUGNYJCEG-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.56
Rot. Bonds6

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

methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 154620342) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID154620342
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Namemethyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3nc[nH]c3C)c(NCCN3CCOCC3)n2c1
InChIInChI=1S/C19H24N6O3/c1-13-16(22-12-21-13)17-18(20-5-6-24-7-9-28-10-8-24)25-11-14(19(26)27-2)3-4-15(25)23-17/h3-4,11-12,20H,5-10H2,1-2H3,(H,21,22)
InChIKeyQHUTYZUGNYJCEG-UHFFFAOYSA-N
XLogP1.56
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate (CID 154620342) is methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3nc[nH]c3C)c(NCCN3CCOCC3)n2c1.
What is the InChIKey of methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is QHUTYZUGNYJCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-13-16(22-12-21-13)17-18(20-5-6-24-7-9-28-10-8-24)25-11-14(19(26)27-2)3-4-15(25)23-17/h3-4,11-12,20H,5-10H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 154620342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).