(3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H22F2N4O2 — CID 131688368

IUPAC(3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CCCC2(CC(Nc3cnccn3)CO2)C1
InChIInChI=1S/C17H22F2N4O2/c18-17(19)6-12(7-17)15(24)23-5-1-2-16(11-23)8-13(10-25-16)22-14-9-20-3-4-21-14/h3-4,9,12-13H,1-2,5-8,10-11H2,(H,21,22)
InChIKeyFDBOKOPFNAIDEI-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.08
Rot. Bonds3

About (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 131688368) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID131688368
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name(3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CCCC2(CC(Nc3cnccn3)CO2)C1
InChIInChI=1S/C17H22F2N4O2/c18-17(19)6-12(7-17)15(24)23-5-1-2-16(11-23)8-13(10-25-16)22-14-9-20-3-4-21-14/h3-4,9,12-13H,1-2,5-8,10-11H2,(H,21,22)
InChIKeyFDBOKOPFNAIDEI-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 131688368) is (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(C1CC(F)(F)C1)N1CCCC2(CC(Nc3cnccn3)CO2)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is FDBOKOPFNAIDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c18-17(19)6-12(7-17)15(24)23-5-1-2-16(11-23)8-13(10-25-16)22-14-9-20-3-4-21-14/h3-4,9,12-13H,1-2,5-8,10-11H2,(H,21,22).
What are the key properties of (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 131688368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).