tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate

C14H16BrF2N3O2 — CID 89036526

IUPACtert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(F)F)c1cc(Br)cn2ccnc12
InChIInChI=1S/C14H16BrF2N3O2/c1-14(2,3)22-13(21)20(8-11(16)17)10-6-9(15)7-19-5-4-18-12(10)19/h4-7,11H,8H2,1-3H3
InChIKeyPROHZELLKAOTKV-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate

tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate (PubChem CID 89036526) has the molecular formula C14H16BrF2N3O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate
PubChem CID89036526
Molecular FormulaC14H16BrF2N3O2
Molecular Weight376.20 g/mol
Exact Mass375.04
IUPAC Nametert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(F)F)c1cc(Br)cn2ccnc12
InChIInChI=1S/C14H16BrF2N3O2/c1-14(2,3)22-13(21)20(8-11(16)17)10-6-9(15)7-19-5-4-18-12(10)19/h4-7,11H,8H2,1-3H3
InChIKeyPROHZELLKAOTKV-UHFFFAOYSA-N
XLogP4.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate?
The IUPAC name of tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate (CID 89036526) is tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate is CC(C)(C)OC(=O)N(CC(F)F)c1cc(Br)cn2ccnc12.
What is the InChIKey of tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate?
The InChIKey is PROHZELLKAOTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3O2/c1-14(2,3)22-13(21)20(8-11(16)17)10-6-9(15)7-19-5-4-18-12(10)19/h4-7,11H,8H2,1-3H3.
What are the key properties of tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate?
tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate has a molecular weight of 376.20 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromoimidazo[1,2-a]pyridin-8-yl)-N-(2,2-difluoroethyl)carbamate is sourced from PubChem (CID 89036526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).