4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H23N3O4 — CID 154474868

IUPAC4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCOc1cccn2c(C(=O)NC3CCC(C(=O)O)CC3)c(C)nc12
InChIInChI=1S/C18H23N3O4/c1-3-25-14-5-4-10-21-15(11(2)19-16(14)21)17(22)20-13-8-6-12(7-9-13)18(23)24/h4-5,10,12-13H,3,6-9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyHLNZVJVPVVBADN-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.41
Rot. Bonds5

About 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 154474868) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID154474868
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCOc1cccn2c(C(=O)NC3CCC(C(=O)O)CC3)c(C)nc12
InChIInChI=1S/C18H23N3O4/c1-3-25-14-5-4-10-21-15(11(2)19-16(14)21)17(22)20-13-8-6-12(7-9-13)18(23)24/h4-5,10,12-13H,3,6-9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyHLNZVJVPVVBADN-UHFFFAOYSA-N
XLogP2.41
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethoxy-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090260
N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090369
8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090244
tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 90090034
8-ethoxy-2-methyl-N-[(3R)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 162316268
8-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090266
8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 162322941
8-ethoxy-2-methyl-N-[(3R,4S)-4-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 162253684
8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090277
8-ethoxy-2-methyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090368
8-ethoxy-2-methyl-N-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659994

Frequently Asked Questions

What is the IUPAC name of 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 154474868) is 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCOc1cccn2c(C(=O)NC3CCC(C(=O)O)CC3)c(C)nc12.
What is the InChIKey of 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HLNZVJVPVVBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-25-14-5-4-10-21-15(11(2)19-16(14)21)17(22)20-13-8-6-12(7-9-13)18(23)24/h4-5,10,12-13H,3,6-9H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 154474868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).