[2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C21H15F2N3O3 — CID 143712972

IUPAC[2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c(F)ccc(OCCO)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C21H15F2N3O3/c22-16-3-4-17(29-7-6-27)19(23)18(16)20(28)15-11-26-21-14(15)8-13(10-25-21)12-2-1-5-24-9-12/h1-5,8-11,27H,6-7H2,(H,25,26)
InChIKeyHMHCPVXJAPDGAO-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.51
Rot. Bonds6

About [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 143712972) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID143712972
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name[2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c(F)ccc(OCCO)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C21H15F2N3O3/c22-16-3-4-17(29-7-6-27)19(23)18(16)20(28)15-11-26-21-14(15)8-13(10-25-21)12-2-1-5-24-9-12/h1-5,8-11,27H,6-7H2,(H,25,26)
InChIKeyHMHCPVXJAPDGAO-UHFFFAOYSA-N
XLogP3.51
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 143712972) is [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1c(F)ccc(OCCO)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.
What is the InChIKey of [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is HMHCPVXJAPDGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c22-16-3-4-17(29-7-6-27)19(23)18(16)20(28)15-11-26-21-14(15)8-13(10-25-21)12-2-1-5-24-9-12/h1-5,8-11,27H,6-7H2,(H,25,26).
What are the key properties of [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 395.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-3-(2-hydroxyethoxy)phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 143712972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).