3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine

C21H19ClF2N4O3S — CID 143313225

IUPAC3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine
SMILESCC(C)S(=O)(=O)N1CC(Oc2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C21H19ClF2N4O3S/c1-12(2)32(29,30)28-10-14(11-28)31-19-9-26-20(16-4-3-13(23)7-18(16)24)21(27-19)15-5-6-25-8-17(15)22/h3-9,12,14H,10-11H2,1-2H3
InChIKeyDVFYQSVFIKLAJB-UHFFFAOYSA-N
MW480.92 g/mol
LogP3.94
Rot. Bonds6

About 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine

3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine (PubChem CID 143313225) has the molecular formula C21H19ClF2N4O3S and a molecular weight of 480.92 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine
PubChem CID143313225
Molecular FormulaC21H19ClF2N4O3S
Molecular Weight480.92 g/mol
Exact Mass480.08
IUPAC Name3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine
SMILESCC(C)S(=O)(=O)N1CC(Oc2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C21H19ClF2N4O3S/c1-12(2)32(29,30)28-10-14(11-28)31-19-9-26-20(16-4-3-13(23)7-18(16)24)21(27-19)15-5-6-25-8-17(15)22/h3-9,12,14H,10-11H2,1-2H3
InChIKeyDVFYQSVFIKLAJB-UHFFFAOYSA-N
XLogP3.94
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine (CID 143313225) is 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine is CC(C)S(=O)(=O)N1CC(Oc2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)C1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine?
The InChIKey is DVFYQSVFIKLAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O3S/c1-12(2)32(29,30)28-10-14(11-28)31-19-9-26-20(16-4-3-13(23)7-18(16)24)21(27-19)15-5-6-25-8-17(15)22/h3-9,12,14H,10-11H2,1-2H3.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine?
3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine has a molecular weight of 480.92 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(1-propan-2-ylsulfonylazetidin-3-yl)oxypyrazine is sourced from PubChem (CID 143313225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).