1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine

C17H19IN2O — CID 25157511

IUPAC1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(N2CCc3c(I)cc(C)nc32)c(C)c1
InChIInChI=1S/C17H19IN2O/c1-4-21-13-5-6-16(11(2)9-13)20-8-7-14-15(18)10-12(3)19-17(14)20/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyBHZWTDYGGQDOIT-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.40
Rot. Bonds3

About 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine

1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 25157511) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID25157511
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC Name1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(N2CCc3c(I)cc(C)nc32)c(C)c1
InChIInChI=1S/C17H19IN2O/c1-4-21-13-5-6-16(11(2)9-13)20-8-7-14-15(18)10-12(3)19-17(14)20/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyBHZWTDYGGQDOIT-UHFFFAOYSA-N
XLogP4.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine 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

[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl] methanesulfonate
CID 87669165
ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate
CID 67311686
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one
CID 67312116
2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline
CID 133469063
5-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-ium-2-carboxylate
CID 68643585
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one
CID 82396270
6-ethoxyisoquinolin-1-amine
CID 82062973
1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 58016642
N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine
CID 23527213
1-(2-chloro-4-ethoxyphenyl)pyrazole
CID 91589970
3-bromo-1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 69047763

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 25157511) is 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine is CCOc1ccc(N2CCc3c(I)cc(C)nc32)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is BHZWTDYGGQDOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-4-21-13-5-6-16(11(2)9-13)20-8-7-14-15(18)10-12(3)19-17(14)20/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 394.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 25157511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).