4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine

C18H22N4O4S — CID 118675921

IUPAC4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(Oc2cccnc2-c2ccncc2)C1
InChIInChI=1S/C18H22N4O4S/c23-27(24,21-10-12-25-13-11-21)22-9-5-16(14-22)26-17-2-1-6-20-18(17)15-3-7-19-8-4-15/h1-4,6-8,16H,5,9-14H2
InChIKeyBGQMNXLNKJOQGH-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.17
Rot. Bonds5

About 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine

4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 118675921) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID118675921
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(Oc2cccnc2-c2ccncc2)C1
InChIInChI=1S/C18H22N4O4S/c23-27(24,21-10-12-25-13-11-21)22-9-5-16(14-22)26-17-2-1-6-20-18(17)15-3-7-19-8-4-15/h1-4,6-8,16H,5,9-14H2
InChIKeyBGQMNXLNKJOQGH-UHFFFAOYSA-N
XLogP1.17
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine (CID 118675921) is 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCC(Oc2cccnc2-c2ccncc2)C1.
What is the InChIKey of 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is BGQMNXLNKJOQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c23-27(24,21-10-12-25-13-11-21)22-9-5-16(14-22)26-17-2-1-6-20-18(17)15-3-7-19-8-4-15/h1-4,6-8,16H,5,9-14H2.
What are the key properties of 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine?
4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 390.47 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 118675921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).