6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine

C24H17F2N5O4S — CID 68683456

IUPAC6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCS(=O)(=O)c1ccc(Oc2cc3cc(-c4cnccn4)[nH]c3nc2Oc2c(F)cccc2F)cn1
InChIInChI=1S/C24H17F2N5O4S/c1-2-36(32,33)21-7-6-15(12-29-21)34-20-11-14-10-18(19-13-27-8-9-28-19)30-23(14)31-24(20)35-22-16(25)4-3-5-17(22)26/h3-13H,2H2,1H3,(H,30,31)
InChIKeyNUTGMXMTCFSOLJ-UHFFFAOYSA-N
MW509.49 g/mol
LogP5.07
Rot. Bonds7

About 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine

6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 68683456) has the molecular formula C24H17F2N5O4S and a molecular weight of 509.49 g/mol. Its IUPAC name is 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID68683456
Molecular FormulaC24H17F2N5O4S
Molecular Weight509.49 g/mol
Exact Mass509.10
IUPAC Name6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCS(=O)(=O)c1ccc(Oc2cc3cc(-c4cnccn4)[nH]c3nc2Oc2c(F)cccc2F)cn1
InChIInChI=1S/C24H17F2N5O4S/c1-2-36(32,33)21-7-6-15(12-29-21)34-20-11-14-10-18(19-13-27-8-9-28-19)30-23(14)31-24(20)35-22-16(25)4-3-5-17(22)26/h3-13H,2H2,1H3,(H,30,31)
InChIKeyNUTGMXMTCFSOLJ-UHFFFAOYSA-N
XLogP5.07
TPSA119.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 68683456) is 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine is CCS(=O)(=O)c1ccc(Oc2cc3cc(-c4cnccn4)[nH]c3nc2Oc2c(F)cccc2F)cn1.
What is the InChIKey of 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NUTGMXMTCFSOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O4S/c1-2-36(32,33)21-7-6-15(12-29-21)34-20-11-14-10-18(19-13-27-8-9-28-19)30-23(14)31-24(20)35-22-16(25)4-3-5-17(22)26/h3-13H,2H2,1H3,(H,30,31).
What are the key properties of 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine?
6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 509.49 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68683456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).