methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate

C21H20N4O4 — CID 146701144

IUPACmethyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2cc(CCOC(=O)c3nc4ccccn4c3C)ccn2c1C
InChIInChI=1S/C21H20N4O4/c1-13-18(20(26)28-3)23-17-12-15(7-10-25(13)17)8-11-29-21(27)19-14(2)24-9-5-4-6-16(24)22-19/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyQUFCSWREDLHJFL-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.78
Rot. Bonds5

About methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate

methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 146701144) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID146701144
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Namemethyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2cc(CCOC(=O)c3nc4ccccn4c3C)ccn2c1C
InChIInChI=1S/C21H20N4O4/c1-13-18(20(26)28-3)23-17-12-15(7-10-25(13)17)8-11-29-21(27)19-14(2)24-9-5-4-6-16(24)22-19/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyQUFCSWREDLHJFL-UHFFFAOYSA-N
XLogP2.78
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
CID 83435
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
1,1'-(1-((1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl) di-3-pyridinecarboxylate
CID 71692
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
Imidazo[1,2-a]pyridine-3-carboxylic acid,2-[1-(ethoxycarbonyl)-4-piperidinyl]-,ethyl ester
CID 5307178
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112
Ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 682232

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate (CID 146701144) is methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2cc(CCOC(=O)c3nc4ccccn4c3C)ccn2c1C.
What is the InChIKey of methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QUFCSWREDLHJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-18(20(26)28-3)23-17-12-15(7-10-25(13)17)8-11-29-21(27)19-14(2)24-9-5-4-6-16(24)22-19/h4-7,9-10,12H,8,11H2,1-3H3.
What are the key properties of methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 146701144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).