2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

C18H13BrN4O — CID 69375887

IUPAC2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESNC(=O)C(=Cc1c[nH]c2ncccc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H13BrN4O/c19-11-3-4-16-13(7-11)15(9-22-16)14(17(20)24)6-10-8-23-18-12(10)2-1-5-21-18/h1-9,22H,(H2,20,24)(H,21,23)
InChIKeyIROXJGCSFWKZIJ-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.83
Rot. Bonds3

About 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (PubChem CID 69375887) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
PubChem CID69375887
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESNC(=O)C(=Cc1c[nH]c2ncccc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H13BrN4O/c19-11-3-4-16-13(7-11)15(9-22-16)14(17(20)24)6-10-8-23-18-12(10)2-1-5-21-18/h1-9,22H,(H2,20,24)(H,21,23)
InChIKeyIROXJGCSFWKZIJ-UHFFFAOYSA-N
XLogP3.83
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)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

3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
4-Azakenpaullone
CID 6538896
3-(5-Bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
CID 71735028
N-[(6-Bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 342996
(5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
CID 118899471
(E)-N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide
CID 134145833
N-[1-(1H-Benzoimidazol-2-yl)-2-pyridin-3-yl-vinyl]-3-bromo-benzamide
CID 5764703
3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-b]pyridin-1-yl)-1H-pyrrole-2,5-dione
CID 44241613
1-[4-[2-amino-4-(5-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]ethanone
CID 53362380
[3-(2-Aminopyrimidin-4-yl)-5-bromo-indol-1-yl]-phenyl-methanone
CID 76314852
3-(5-Bromo-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727276
3-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylbenzamide
CID 137633338

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (CID 69375887) is 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is NC(=O)C(=Cc1c[nH]c2ncccc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The InChIKey is IROXJGCSFWKZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O/c19-11-3-4-16-13(7-11)15(9-22-16)14(17(20)24)6-10-8-23-18-12(10)2-1-5-21-18/h1-9,22H,(H2,20,24)(H,21,23).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide has a molecular weight of 381.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 69375887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).