4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile

C17H13BrN4O — CID 133456656

IUPAC4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)cc1NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C17H13BrN4O/c1-11(23)15-4-2-12(7-19)6-16(15)20-8-14-10-22-9-13(18)3-5-17(22)21-14/h2-6,9-10,20H,8H2,1H3
InChIKeyUVKVQLOIXPNVSR-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.78
Rot. Bonds4

About 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile

4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile (PubChem CID 133456656) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile
PubChem CID133456656
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)cc1NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C17H13BrN4O/c1-11(23)15-4-2-12(7-19)6-16(15)20-8-14-10-22-9-13(18)3-5-17(22)21-14/h2-6,9-10,20H,8H2,1H3
InChIKeyUVKVQLOIXPNVSR-UHFFFAOYSA-N
XLogP3.78
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-acetyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 133457205
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55975623
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile
CID 134017959
2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide
CID 133466049
4-acetyl-3-[(2-ethoxy-4-pyridinyl)methylamino]benzonitrile
CID 133456188
4-acetyl-3-[(4-propoxyphenyl)methylamino]benzonitrile
CID 133456344
4-[(2-acetyl-5-cyanoanilino)methyl]-N-methylbenzenesulfonamide
CID 133455913
4-acetyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)benzonitrile
CID 133466059
4-acetyl-3-(2-piperidin-1-ylethylamino)benzonitrile
CID 133456182
4-acetyl-3-[2-(4-methoxyphenoxy)ethylamino]benzonitrile
CID 133466179
4-acetyl-3-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 133456950
4-acetyl-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methylamino]benzonitrile
CID 133456731

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile?
The IUPAC name of 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile (CID 133456656) is 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile?
The canonical SMILES for 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile is CC(=O)c1ccc(C#N)cc1NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile?
The InChIKey is UVKVQLOIXPNVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O/c1-11(23)15-4-2-12(7-19)6-16(15)20-8-14-10-22-9-13(18)3-5-17(22)21-14/h2-6,9-10,20H,8H2,1H3.
What are the key properties of 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile?
4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile has a molecular weight of 369.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 133456656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).