[3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone

C18H18N4O2 — CID 154854868

IUPAC[3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone
SMILESO=C(c1cccc2nncn12)N1CC2(CCCC2)C1c1ccco1
InChIInChI=1S/C18H18N4O2/c23-17(13-5-3-7-15-20-19-12-22(13)15)21-11-18(8-1-2-9-18)16(21)14-6-4-10-24-14/h3-7,10,12,16H,1-2,8-9,11H2
InChIKeyRYGCFIJNAFSARD-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.08
Rot. Bonds2

About [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone

[3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone (PubChem CID 154854868) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone
PubChem CID154854868
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone
SMILESO=C(c1cccc2nncn12)N1CC2(CCCC2)C1c1ccco1
InChIInChI=1S/C18H18N4O2/c23-17(13-5-3-7-15-20-19-12-22(13)15)21-11-18(8-1-2-9-18)16(21)14-6-4-10-24-14/h3-7,10,12,16H,1-2,8-9,11H2
InChIKeyRYGCFIJNAFSARD-UHFFFAOYSA-N
XLogP3.08
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
The IUPAC name of [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone (CID 154854868) is [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone.
What is the SMILES notation for [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
The canonical SMILES for [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone is O=C(c1cccc2nncn12)N1CC2(CCCC2)C1c1ccco1.
What is the InChIKey of [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
The InChIKey is RYGCFIJNAFSARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(13-5-3-7-15-20-19-12-22(13)15)21-11-18(8-1-2-9-18)16(21)14-6-4-10-24-14/h3-7,10,12,16H,1-2,8-9,11H2.
What are the key properties of [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone?
[3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-2-azaspiro[3.4]octan-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-5-yl)methanone is sourced from PubChem (CID 154854868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).