[8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate

C19H23F3N2O3 — CID 68652146

IUPAC[8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate
SMILESCC(C)Oc1cncc(C2=CCC3(CCCN3OC(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C19H23F3N2O3/c1-13(2)26-16-10-15(11-23-12-16)14-4-7-18(8-5-14)6-3-9-24(18)27-17(25)19(20,21)22/h4,10-13H,3,5-9H2,1-2H3
InChIKeyZRRSIEVUFHTXBW-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.29
Rot. Bonds4

About [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate

[8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68652146) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate
PubChem CID68652146
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name[8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate
SMILESCC(C)Oc1cncc(C2=CCC3(CCCN3OC(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C19H23F3N2O3/c1-13(2)26-16-10-15(11-23-12-16)14-4-7-18(8-5-14)6-3-9-24(18)27-17(25)19(20,21)22/h4,10-13H,3,5-9H2,1-2H3
InChIKeyZRRSIEVUFHTXBW-UHFFFAOYSA-N
XLogP4.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

bis(8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-ene);bis(2,2,2-trifluoroacetic acid)
CID 160900780
ethyl 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carboxylate;2,2,2-trifluoroacetic acid
CID 172806705
6-(5-propan-2-yloxy-3-pyridinyl)-2-azaspiro[3.4]oct-5-ene
CID 68652404
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.2.1]oct-6-ene;2,2,2-trifluoroacetic acid
CID 67271424
2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 107957496
3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine
CID 107383070
3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 167806824
morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984
3-(5-propan-2-yloxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene;dihydrochloride
CID 57485764
4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563485
(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 138009746
(2-methylpiperidin-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116614075

Frequently Asked Questions

What is the IUPAC name of [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate (CID 68652146) is [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate is CC(C)Oc1cncc(C2=CCC3(CCCN3OC(=O)C(F)(F)F)CC2)c1.
What is the InChIKey of [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is ZRRSIEVUFHTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-13(2)26-16-10-15(11-23-12-16)14-4-7-18(8-5-14)6-3-9-24(18)27-17(25)19(20,21)22/h4,10-13H,3,5-9H2,1-2H3.
What are the key properties of [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate?
[8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 384.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-propan-2-yloxy-3-pyridinyl)-1-azaspiro[4.5]dec-7-en-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68652146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).