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

C16H19N5O3 — CID 155542513

IUPACmethyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOCCNc1c(-c2cnc(C)[nH]2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C16H19N5O3/c1-10-18-8-12(19-10)14-15(17-6-7-23-2)21-9-11(16(22)24-3)4-5-13(21)20-14/h4-5,8-9,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyTUIVITPWBCEVFY-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.88
Rot. Bonds6

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

methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155542513) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155542513
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Namemethyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOCCNc1c(-c2cnc(C)[nH]2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C16H19N5O3/c1-10-18-8-12(19-10)14-15(17-6-7-23-2)21-9-11(16(22)24-3)4-5-13(21)20-14/h4-5,8-9,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyTUIVITPWBCEVFY-UHFFFAOYSA-N
XLogP1.88
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 3788405
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
2-{[2-(1H-Imidazol-4-yl)ethyl]amino}-5-carbomethoxypyridine
CID 10422017
methyl 5-propan-2-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 44449644
methyl 6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 68027131
(R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino)nicotinic acid
CID 68029369
ethyl 1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 660830
methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
methyl 5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 44449674
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 3-[(4-methylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359034

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 155542513) is methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is COCCNc1c(-c2cnc(C)[nH]2)nc2ccc(C(=O)OC)cn12.
What is the InChIKey of methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is TUIVITPWBCEVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-18-8-12(19-10)14-15(17-6-7-23-2)21-9-11(16(22)24-3)4-5-13(21)20-14/h4-5,8-9,17H,6-7H2,1-3H3,(H,18,19).
What are the key properties of methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155542513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).