3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C22H19F2N3O2 — CID 58086533

IUPAC3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F
InChIInChI=1S/C22H19F2N3O2/c1-28-7-8-29-20-5-4-19(23)18(21(20)24)10-16-13-27-22-17(16)9-15(12-26-22)14-3-2-6-25-11-14/h2-6,9,11-13H,7-8,10H2,1H3,(H,26,27)
InChIKeyIIZJRDWNFXWRID-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.52
Rot. Bonds7

About 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086533) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086533
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F
InChIInChI=1S/C22H19F2N3O2/c1-28-7-8-29-20-5-4-19(23)18(21(20)24)10-16-13-27-22-17(16)9-15(12-26-22)14-3-2-6-25-11-14/h2-6,9,11-13H,7-8,10H2,1H3,(H,26,27)
InChIKeyIIZJRDWNFXWRID-UHFFFAOYSA-N
XLogP4.52
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-butoxy-2,6-difluorophenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 66827071
N-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]propane-1-sulfonamide
CID 58087408
3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 24953789
2-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]ethanol
CID 58065968
3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]-4-phenylbutan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate
CID 162193106
2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
CID 58182229
2,4-difluoro-3-[[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]aniline
CID 58087397
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
[3-[ethyl(methyl)amino]-2-fluoro-6-methoxyphenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143385057
3-[(2-fluoro-3-methoxyphenyl)methyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 58087321
3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
CID 146304422
5-bromo-3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine
CID 70798912

Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 58086533) is 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is COCCOc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.
What is the InChIKey of 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IIZJRDWNFXWRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-28-7-8-29-20-5-4-19(23)18(21(20)24)10-16-13-27-22-17(16)9-15(12-26-22)14-3-2-6-25-11-14/h2-6,9,11-13H,7-8,10H2,1H3,(H,26,27).
What are the key properties of 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 395.41 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).