tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate

C21H19BrFN5O3 — CID 155676966

IUPACtert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1c(F)ccc2c1CCO2)c1ncc(Br)c2nc(C#N)cn12
InChIInChI=1S/C21H19BrFN5O3/c1-21(2,3)31-20(29)28(11-14-13-6-7-30-17(13)5-4-16(14)23)19-25-9-15(22)18-26-12(8-24)10-27(18)19/h4-5,9-10H,6-7,11H2,1-3H3
InChIKeyIYQMRUGCEQIPLG-UHFFFAOYSA-N
MW488.32 g/mol
LogP4.38
Rot. Bonds3

About tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate

tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate (PubChem CID 155676966) has the molecular formula C21H19BrFN5O3 and a molecular weight of 488.32 g/mol. Its IUPAC name is tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate
PubChem CID155676966
Molecular FormulaC21H19BrFN5O3
Molecular Weight488.32 g/mol
Exact Mass487.07
IUPAC Nametert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1c(F)ccc2c1CCO2)c1ncc(Br)c2nc(C#N)cn12
InChIInChI=1S/C21H19BrFN5O3/c1-21(2,3)31-20(29)28(11-14-13-6-7-30-17(13)5-4-16(14)23)19-25-9-15(22)18-26-12(8-24)10-27(18)19/h4-5,9-10H,6-7,11H2,1-3H3
InChIKeyIYQMRUGCEQIPLG-UHFFFAOYSA-N
XLogP4.38
TPSA92.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate (CID 155676966) is tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1c(F)ccc2c1CCO2)c1ncc(Br)c2nc(C#N)cn12.
What is the InChIKey of tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate?
The InChIKey is IYQMRUGCEQIPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFN5O3/c1-21(2,3)31-20(29)28(11-14-13-6-7-30-17(13)5-4-16(14)23)19-25-9-15(22)18-26-12(8-24)10-27(18)19/h4-5,9-10H,6-7,11H2,1-3H3.
What are the key properties of tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate?
tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate has a molecular weight of 488.32 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-bromo-2-cyanoimidazo[1,2-c]pyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate is sourced from PubChem (CID 155676966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).