3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one

C17H19ClN4O2S — CID 145210194

IUPAC3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Sc2cnc(N3CCC4(CCOC4)CC3)cn2)c1Cl
InChIInChI=1S/C17H19ClN4O2S/c18-15-12(1-5-19-16(15)23)25-14-10-20-13(9-21-14)22-6-2-17(3-7-22)4-8-24-11-17/h1,5,9-10H,2-4,6-8,11H2,(H,19,23)
InChIKeyQSUCJGKJOYPMCE-UHFFFAOYSA-N
MW378.89 g/mol
LogP2.98
Rot. Bonds3

About 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one

3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one (PubChem CID 145210194) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
PubChem CID145210194
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Sc2cnc(N3CCC4(CCOC4)CC3)cn2)c1Cl
InChIInChI=1S/C17H19ClN4O2S/c18-15-12(1-5-19-16(15)23)25-14-10-20-13(9-21-14)22-6-2-17(3-7-22)4-8-24-11-17/h1,5,9-10H,2-4,6-8,11H2,(H,19,23)
InChIKeyQSUCJGKJOYPMCE-UHFFFAOYSA-N
XLogP2.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one (CID 145210194) is 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one is O=c1[nH]ccc(Sc2cnc(N3CCC4(CCOC4)CC3)cn2)c1Cl.
What is the InChIKey of 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one?
The InChIKey is QSUCJGKJOYPMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c18-15-12(1-5-19-16(15)23)25-14-10-20-13(9-21-14)22-6-2-17(3-7-22)4-8-24-11-17/h1,5,9-10H,2-4,6-8,11H2,(H,19,23).
What are the key properties of 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one?
3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one has a molecular weight of 378.89 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 145210194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).