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

C14H13BrN4OS — CID 15099484

IUPAC2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Br)s2)nc2cccnc21
InChIInChI=1S/C14H13BrN4OS/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
InChIKeyJTFGYQSQTBBDRR-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.01
Rot. Bonds3

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

2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 15099484) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID15099484
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Br)s2)nc2cccnc21
InChIInChI=1S/C14H13BrN4OS/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
InChIKeyJTFGYQSQTBBDRR-UHFFFAOYSA-N
XLogP3.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (CID 15099484) is 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(-c2ccc(Br)s2)nc2cccnc21.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is JTFGYQSQTBBDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/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-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 365.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 15099484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).