1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one

C14H18BrN5O2 — CID 67077844

IUPAC1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCN(CCn2c(=O)[nH]c3ncc(Br)cc32)CC1
InChIInChI=1S/C14H18BrN5O2/c1-10(21)19-5-2-18(3-6-19)4-7-20-12-8-11(15)9-16-13(12)17-14(20)22/h8-9H,2-7H2,1H3,(H,16,17,22)
InChIKeyGCXWFRQDKWGYHR-UHFFFAOYSA-N
MW368.24 g/mol
LogP0.65
Rot. Bonds3

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one

1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67077844) has the molecular formula C14H18BrN5O2 and a molecular weight of 368.24 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67077844
Molecular FormulaC14H18BrN5O2
Molecular Weight368.24 g/mol
Exact Mass367.06
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCN(CCn2c(=O)[nH]c3ncc(Br)cc32)CC1
InChIInChI=1S/C14H18BrN5O2/c1-10(21)19-5-2-18(3-6-19)4-7-20-12-8-11(15)9-16-13(12)17-14(20)22/h8-9H,2-7H2,1H3,(H,16,17,22)
InChIKeyGCXWFRQDKWGYHR-UHFFFAOYSA-N
XLogP0.65
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one 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 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one (CID 67077844) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one is CC(=O)N1CCN(CCn2c(=O)[nH]c3ncc(Br)cc32)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GCXWFRQDKWGYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O2/c1-10(21)19-5-2-18(3-6-19)4-7-20-12-8-11(15)9-16-13(12)17-14(20)22/h8-9H,2-7H2,1H3,(H,16,17,22).
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one?
1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 368.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67077844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).