(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

C17H20N4O2 — CID 165427231

IUPAC(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESCC1=CC2(CCN(C(=O)c3cccc4ncnn34)CC2)OCC1
InChIInChI=1S/C17H20N4O2/c1-13-5-10-23-17(11-13)6-8-20(9-7-17)16(22)14-3-2-4-15-18-12-19-21(14)15/h2-4,11-12H,5-10H2,1H3
InChIKeyZOMFNNODJHDRET-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.07
Rot. Bonds1

About (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (PubChem CID 165427231) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
PubChem CID165427231
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESCC1=CC2(CCN(C(=O)c3cccc4ncnn34)CC2)OCC1
InChIInChI=1S/C17H20N4O2/c1-13-5-10-23-17(11-13)6-8-20(9-7-17)16(22)14-3-2-4-15-18-12-19-21(14)15/h2-4,11-12H,5-10H2,1H3
InChIKeyZOMFNNODJHDRET-UHFFFAOYSA-N
XLogP2.07
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone with MolForge

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Related Compounds

1,3-dimethyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)pyrimidine-2,4-dione
CID 163309157
(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135118088
(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 163305870
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135093117
(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 136566908
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 164698036
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163312209
3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
CID 135104063
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
CID 164697981
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 162638112

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (CID 165427231) is (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is CC1=CC2(CCN(C(=O)c3cccc4ncnn34)CC2)OCC1.
What is the InChIKey of (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is ZOMFNNODJHDRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-5-10-23-17(11-13)6-8-20(9-7-17)16(22)14-3-2-4-15-18-12-19-21(14)15/h2-4,11-12H,5-10H2,1H3.
What are the key properties of (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 165427231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).