2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine

C19H18F2N4O4S — CID 157410289

IUPAC2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine
SMILESCCOSOc1cc(Oc2ccccn2)cnc1-c1cnc(OCC(C)(F)F)cn1
InChIInChI=1S/C19H18F2N4O4S/c1-3-27-30-29-15-8-13(28-16-6-4-5-7-22-16)9-25-18(15)14-10-24-17(11-23-14)26-12-19(2,20)21/h4-11H,3,12H2,1-2H3
InChIKeyBOEWWDNLANBAAD-UHFFFAOYSA-N
MW436.44 g/mol
LogP4.74
Rot. Bonds10

About 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine

2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine (PubChem CID 157410289) has the molecular formula C19H18F2N4O4S and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine
PubChem CID157410289
Molecular FormulaC19H18F2N4O4S
Molecular Weight436.44 g/mol
Exact Mass436.10
IUPAC Name2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine
SMILESCCOSOc1cc(Oc2ccccn2)cnc1-c1cnc(OCC(C)(F)F)cn1
InChIInChI=1S/C19H18F2N4O4S/c1-3-27-30-29-15-8-13(28-16-6-4-5-7-22-16)9-25-18(15)14-10-24-17(11-23-14)26-12-19(2,20)21/h4-11H,3,12H2,1-2H3
InChIKeyBOEWWDNLANBAAD-UHFFFAOYSA-N
XLogP4.74
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine
CID 71085880
US11026923, Example 125
CID 138746699
2-[(2-Methyl-3-pyridinyl)oxy]-3-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 95822182
2-[(2-Methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-4-yl)pyrazine
CID 95843329
2-[(2-Methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
CID 110269984
2-[2-(4-Methoxyphenyl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]pyrazine
CID 172437704
2,2'-Bipyridine-5,5'-diethylate
CID 129773827
4-Phenoxy-6-[2,2,2-trifluoroethoxy]-1,5-naphthyridine
CID 629341
5,6-Difluoro-2-[2-(1-methoxy-1-methyl-ethyl)-pyridin-3-yloxy]-3-methyl-quinoxaline
CID 86712407
1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine
CID 88998281

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine?
The IUPAC name of 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine (CID 157410289) is 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine?
The canonical SMILES for 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine is CCOSOc1cc(Oc2ccccn2)cnc1-c1cnc(OCC(C)(F)F)cn1.
What is the InChIKey of 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine?
The InChIKey is BOEWWDNLANBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4S/c1-3-27-30-29-15-8-13(28-16-6-4-5-7-22-16)9-25-18(15)14-10-24-17(11-23-14)26-12-19(2,20)21/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine?
2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine has a molecular weight of 436.44 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine is sourced from PubChem (CID 157410289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).