tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate

C12H15N3O2 — CID 137368600

IUPACtert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2nccn2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)14-9-4-5-10-13-6-7-15(10)8-9/h4-8H,1-3H3,(H,14,16)
InChIKeyLGDOIXHRZVPLQO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.68
Rot. Bonds1

About tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate

tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate (PubChem CID 137368600) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
PubChem CID137368600
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nametert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2nccn2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)14-9-4-5-10-13-6-7-15(10)8-9/h4-8H,1-3H3,(H,14,16)
InChIKeyLGDOIXHRZVPLQO-UHFFFAOYSA-N
XLogP2.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 86701927
2-ethyl-N-imidazo[1,2-a]pyridin-6-ylbutanamide
CID 110734672
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185
tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
CID 156699490
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
CID 9185284
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
CID 78893994
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate
CID 167810976

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate?
The IUPAC name of tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate (CID 137368600) is tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate.
What is the SMILES notation for tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate?
The canonical SMILES for tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate is CC(C)(C)OC(=O)Nc1ccc2nccn2c1.
What is the InChIKey of tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate?
The InChIKey is LGDOIXHRZVPLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)14-9-4-5-10-13-6-7-15(10)8-9/h4-8H,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate?
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate has a molecular weight of 233.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate is sourced from PubChem (CID 137368600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).