4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine

C23H20BrN3OS — CID 144973144

IUPAC4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine
SMILESBrc1ccnc2c1cc(-c1ccc(N3CCOCC3)cc1)n2Sc1ccccc1
InChIInChI=1S/C23H20BrN3OS/c24-21-10-11-25-23-20(21)16-22(27(23)29-19-4-2-1-3-5-19)17-6-8-18(9-7-17)26-12-14-28-15-13-26/h1-11,16H,12-15H2
InChIKeyILEYCLTVAWOJAF-UHFFFAOYSA-N
MW466.40 g/mol
LogP5.86
Rot. Bonds4

About 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine

4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine (PubChem CID 144973144) has the molecular formula C23H20BrN3OS and a molecular weight of 466.40 g/mol. Its IUPAC name is 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine
PubChem CID144973144
Molecular FormulaC23H20BrN3OS
Molecular Weight466.40 g/mol
Exact Mass465.05
IUPAC Name4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine
SMILESBrc1ccnc2c1cc(-c1ccc(N3CCOCC3)cc1)n2Sc1ccccc1
InChIInChI=1S/C23H20BrN3OS/c24-21-10-11-25-23-20(21)16-22(27(23)29-19-4-2-1-3-5-19)17-6-8-18(9-7-17)26-12-14-28-15-13-26/h1-11,16H,12-15H2
InChIKeyILEYCLTVAWOJAF-UHFFFAOYSA-N
XLogP5.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.40
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine
CID 69000477
5-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-2-(oxan-4-yloxy)benzonitrile
CID 144973057
4-[4-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine
CID 118537751
4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane
CID 142527672
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine
CID 146177512
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;4-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine;tert-butyl (3R)-3-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenoxy]pyrrolidine-1-carboxylate
CID 158477944
[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]methanamine
CID 177019277
4-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenoxy]piperidine-1-carboxylic acid
CID 118561945
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-[(3-methyloxetan-3-yl)methoxy]benzonitrile
CID 118537358

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine (CID 144973144) is 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine is Brc1ccnc2c1cc(-c1ccc(N3CCOCC3)cc1)n2Sc1ccccc1.
What is the InChIKey of 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine?
The InChIKey is ILEYCLTVAWOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3OS/c24-21-10-11-25-23-20(21)16-22(27(23)29-19-4-2-1-3-5-19)17-6-8-18(9-7-17)26-12-14-28-15-13-26/h1-11,16H,12-15H2.
What are the key properties of 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine?
4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine has a molecular weight of 466.40 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine is sourced from PubChem (CID 144973144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).