[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C18H20F3N3O3 — CID 97310799

IUPAC[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cn12
InChIInChI=1S/C18H20F3N3O3/c1-11-5-4-8-15-22-14(9-24(11)15)17(26)27-10-16(25)23-13-7-3-2-6-12(13)18(19,20)21/h4-5,8-9,12-13H,2-3,6-7,10H2,1H3,(H,23,25)/t12-,13-/m1/s1
InChIKeyBRVCNLLMKMQFMF-CHWSQXEVSA-N
MW383.37 g/mol
LogP3.04
Rot. Bonds4

About [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 97310799) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID97310799
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cn12
InChIInChI=1S/C18H20F3N3O3/c1-11-5-4-8-15-22-14(9-24(11)15)17(26)27-10-16(25)23-13-7-3-2-6-12(13)18(19,20)21/h4-5,8-9,12-13H,2-3,6-7,10H2,1H3,(H,23,25)/t12-,13-/m1/s1
InChIKeyBRVCNLLMKMQFMF-CHWSQXEVSA-N
XLogP3.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-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

(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 75412698
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576053
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55401925
[2-[[(2R)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576172
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55324995
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55481787
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
[2-oxo-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl] 4-(dimethylamino)-3-fluorobenzoate
CID 71883254
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682092
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55325115
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 30602465

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 97310799) is [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cn12.
What is the InChIKey of [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is BRVCNLLMKMQFMF-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-11-5-4-8-15-22-14(9-24(11)15)17(26)27-10-16(25)23-13-7-3-2-6-12(13)18(19,20)21/h4-5,8-9,12-13H,2-3,6-7,10H2,1H3,(H,23,25)/t12-,13-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 383.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 97310799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).