tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate

C17H23N3O2 — CID 155191227

IUPACtert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate
SMILESCC/C=C(\CNC(=O)OC(C)(C)C)c1cn2ccccc2n1
InChIInChI=1S/C17H23N3O2/c1-5-8-13(11-18-16(21)22-17(2,3)4)14-12-20-10-7-6-9-15(20)19-14/h6-10,12H,5,11H2,1-4H3,(H,18,21)/b13-8+
InChIKeyPYALGSJKILVEJN-MDWZMJQESA-N
MW301.39 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate

tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate (PubChem CID 155191227) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate
PubChem CID155191227
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nametert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate
SMILESCC/C=C(\CNC(=O)OC(C)(C)C)c1cn2ccccc2n1
InChIInChI=1S/C17H23N3O2/c1-5-8-13(11-18-16(21)22-17(2,3)4)14-12-20-10-7-6-9-15(20)19-14/h6-10,12H,5,11H2,1-4H3,(H,18,21)/b13-8+
InChIKeyPYALGSJKILVEJN-MDWZMJQESA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
CID 80999369
tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate
CID 45277867
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
CID 9185284
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
N-(4-hydroxy-2,2-dimethylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 103824953
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
methyl 2-[imidazo[1,2-a]pyridine-2-carbonyl(methyl)amino]acetate
CID 43408804
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate (CID 155191227) is tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate is CC/C=C(\CNC(=O)OC(C)(C)C)c1cn2ccccc2n1.
What is the InChIKey of tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate?
The InChIKey is PYALGSJKILVEJN-MDWZMJQESA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-8-13(11-18-16(21)22-17(2,3)4)14-12-20-10-7-6-9-15(20)19-14/h6-10,12H,5,11H2,1-4H3,(H,18,21)/b13-8+.
What are the key properties of tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate?
tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate has a molecular weight of 301.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate is sourced from PubChem (CID 155191227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).