tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate

C20H28N4O4 — CID 90090034

IUPACtert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCCOc1cccn2c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(C)nc12
InChIInChI=1S/C20H28N4O4/c1-6-27-15-8-7-10-24-16(13(2)21-17(15)24)18(25)22-14-9-11-23(12-14)19(26)28-20(3,4)5/h7-8,10,14H,6,9,11-12H2,1-5H3,(H,22,25)/t14-/m0/s1
InChIKeyXYEIMTUTDLMYDA-AWEZNQCLSA-N
MW388.47 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 90090034) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate
PubChem CID90090034
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nametert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCCOc1cccn2c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(C)nc12
InChIInChI=1S/C20H28N4O4/c1-6-27-15-8-7-10-24-16(13(2)21-17(15)24)18(25)22-14-9-11-23(12-14)19(26)28-20(3,4)5/h7-8,10,14H,6,9,11-12H2,1-5H3,(H,22,25)/t14-/m0/s1
InChIKeyXYEIMTUTDLMYDA-AWEZNQCLSA-N
XLogP2.78
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethoxy-2-methyl-N-[(3R)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 162316268
N-[(3S)-1-benzylpyrrolidin-3-yl]-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090369
4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 154474868
8-ethoxy-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090260
8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090277
methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate
CID 90090296
tert-butyl (3S)-3-[[2-(2-cyanophenoxy)acetyl]amino]pyrrolidine-1-carboxylate
CID 96510525
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl (3S)-3-[(2-ethylsulfanylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 91552011
8-ethoxy-N-(4-iodophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110659980
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate (CID 90090034) is tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate is CCOc1cccn2c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(C)nc12.
What is the InChIKey of tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is XYEIMTUTDLMYDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-6-27-15-8-7-10-24-16(13(2)21-17(15)24)18(25)22-14-9-11-23(12-14)19(26)28-20(3,4)5/h7-8,10,14H,6,9,11-12H2,1-5H3,(H,22,25)/t14-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 90090034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).