trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate

C17H21N3O3 — CID 97340572

IUPACtrans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@@H]1C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C17H21N3O3/c1-23-17(22)14-6-4-5-13(14)16(21)18-9-8-12-11-20-10-3-2-7-15(20)19-12/h2-3,7,10-11,13-14H,4-6,8-9H2,1H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyFNGFGPDATNUIFN-KBPBESRZSA-N
MW315.37 g/mol
LogP1.58
Rot. Bonds5

About trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate

trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate (PubChem CID 97340572) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
PubChem CID97340572
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nametrans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@@H]1C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C17H21N3O3/c1-23-17(22)14-6-4-5-13(14)16(21)18-9-8-12-11-20-10-3-2-7-15(20)19-12/h2-3,7,10-11,13-14H,4-6,8-9H2,1H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyFNGFGPDATNUIFN-KBPBESRZSA-N
XLogP1.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-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

cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 31008529
5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
CID 167894308
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557
(3S)-4-(cyclobutylmethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-3-carboxamide
CID 124619070
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630
(3R)-1-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29330277
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131947453
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62025948
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87003227

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate (CID 97340572) is trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate is COC(=O)[C@H]1CCC[C@@H]1C(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate?
The InChIKey is FNGFGPDATNUIFN-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-17(22)14-6-4-5-13(14)16(21)18-9-8-12-11-20-10-3-2-7-15(20)19-12/h2-3,7,10-11,13-14H,4-6,8-9H2,1H3,(H,18,21)/t13-,14-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate?
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 97340572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).