2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide

C14H13BrN4O2 — CID 14390384

IUPAC2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Br)o2)nc2cccnc21
InChIInChI=1S/C14H13BrN4O2/c1-18(2)12(20)8-19-13-9(4-3-7-16-13)17-14(19)10-5-6-11(15)21-10/h3-7H,8H2,1-2H3
InChIKeyCJTMEKZTFARZRV-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.54
Rot. Bonds3

About 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide

2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 14390384) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID14390384
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Br)o2)nc2cccnc21
InChIInChI=1S/C14H13BrN4O2/c1-18(2)12(20)8-19-13-9(4-3-7-16-13)17-14(19)10-5-6-11(15)21-10/h3-7H,8H2,1-2H3
InChIKeyCJTMEKZTFARZRV-UHFFFAOYSA-N
XLogP2.54
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (CID 14390384) is 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(-c2ccc(Br)o2)nc2cccnc21.
What is the InChIKey of 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is CJTMEKZTFARZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-18(2)12(20)8-19-13-9(4-3-7-16-13)17-14(19)10-5-6-11(15)21-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 349.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromofuran-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 14390384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).