3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide

C18H13BrN4O2 — CID 72693794

IUPAC3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)C(C#N)=Cc1cnc2ccc(Br)cn12
InChIInChI=1S/C18H13BrN4O2/c1-25-16-5-3-2-4-15(16)22-18(24)12(9-20)8-14-10-21-17-7-6-13(19)11-23(14)17/h2-8,10-11H,1H3,(H,22,24)
InChIKeySMDZHBZKFRQAHA-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.65
Rot. Bonds4

About 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide

3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 72693794) has the molecular formula C18H13BrN4O2 and a molecular weight of 397.23 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID72693794
Molecular FormulaC18H13BrN4O2
Molecular Weight397.23 g/mol
Exact Mass396.02
IUPAC Name3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)C(C#N)=Cc1cnc2ccc(Br)cn12
InChIInChI=1S/C18H13BrN4O2/c1-25-16-5-3-2-4-15(16)22-18(24)12(9-20)8-14-10-21-17-7-6-13(19)11-23(14)17/h2-8,10-11H,1H3,(H,22,24)
InChIKeySMDZHBZKFRQAHA-UHFFFAOYSA-N
XLogP3.65
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide 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

(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821248
3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3561943
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
3-(4-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3254379
(Z)-2-cyano-3-(2-iodophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 2688799
methyl 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2713812
(Z)-3-(4-bromo-3-nitrophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 124658495
(Z)-3-(2-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 2688789
(E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 51237396
(Z)-3-(3-bromoanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821129
2-cyano-N-(2-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4107156
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide
CID 5042089

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide (CID 72693794) is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)C(C#N)=Cc1cnc2ccc(Br)cn12.
What is the InChIKey of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is SMDZHBZKFRQAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2/c1-25-16-5-3-2-4-15(16)22-18(24)12(9-20)8-14-10-21-17-7-6-13(19)11-23(14)17/h2-8,10-11H,1H3,(H,22,24).
What are the key properties of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 397.23 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 72693794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).