[3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

C24H21ClFIN4O2S — CID 170009190

IUPAC[3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
SMILESCC(c1cccc(Cl)c1)n1cc(F)c(-c2cn(SI)c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C24H21ClFIN4O2S/c1-15(16-3-2-4-17(25)9-16)30-14-22(26)19(11-23(30)32)21-13-31(34-27)24-20(21)10-18(12-28-24)29-5-7-33-8-6-29/h2-4,9-15H,5-8H2,1H3
InChIKeyRRDWGHGOVYKYAE-UHFFFAOYSA-N
MW610.88 g/mol
LogP5.95
Rot. Bonds5

About [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

[3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite (PubChem CID 170009190) has the molecular formula C24H21ClFIN4O2S and a molecular weight of 610.88 g/mol. Its IUPAC name is [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite.

Molecular Properties

Compound Name[3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
PubChem CID170009190
Molecular FormulaC24H21ClFIN4O2S
Molecular Weight610.88 g/mol
Exact Mass610.01
IUPAC Name[3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
SMILESCC(c1cccc(Cl)c1)n1cc(F)c(-c2cn(SI)c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C24H21ClFIN4O2S/c1-15(16-3-2-4-17(25)9-16)30-14-22(26)19(11-23(30)32)21-13-31(34-27)24-20(21)10-18(12-28-24)29-5-7-33-8-6-29/h2-4,9-15H,5-8H2,1H3
InChIKeyRRDWGHGOVYKYAE-UHFFFAOYSA-N
XLogP5.95
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.88
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite 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-[1-(3-chloro-5-fluorophenyl)ethyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 170008921
[3-[1-[1-(3-bromo-4-fluorophenyl)ethyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 170009911
1-[2-[butan-2-yl(methyl)amino]-1-(3-chlorophenyl)ethyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170022037
1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 168851131
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 170009427
1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851094
1-[1-(3-chlorophenyl)-2-[cyclopropylmethyl(methyl)amino]ethyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 168851089
1-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl dihydrogen phosphate
CID 135332484
ethane;1-[(4-fluoro-3-methylphenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311908
[3-[1-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
CID 135332459
1-[(1S)-1-(3,4-difluorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851185

Frequently Asked Questions

What is the IUPAC name of [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
The IUPAC name of [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite (CID 170009190) is [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite.
What is the SMILES notation for [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
The canonical SMILES for [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite is CC(c1cccc(Cl)c1)n1cc(F)c(-c2cn(SI)c3ncc(N4CCOCC4)cc23)cc1=O.
What is the InChIKey of [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
The InChIKey is RRDWGHGOVYKYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFIN4O2S/c1-15(16-3-2-4-17(25)9-16)30-14-22(26)19(11-23(30)32)21-13-31(34-27)24-20(21)10-18(12-28-24)29-5-7-33-8-6-29/h2-4,9-15H,5-8H2,1H3.
What are the key properties of [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite?
[3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite has a molecular weight of 610.88 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite is sourced from PubChem (CID 170009190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).