7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane

C24H27F3N4O — CID 168920688

IUPAC7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
SMILESFC(F)(F)c1ccc(N2CC3(CC(C(c4cccnc4)N4CCC5(COC5)C4)C3)C2)cn1
InChIInChI=1S/C24H27F3N4O/c25-24(26,27)20-4-3-19(11-29-20)31-13-23(14-31)8-18(9-23)21(17-2-1-6-28-10-17)30-7-5-22(12-30)15-32-16-22/h1-4,6,10-11,18,21H,5,7-9,12-16H2
InChIKeyUGRVGEYDMSJNER-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.18
Rot. Bonds4

About 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane

7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 168920688) has the molecular formula C24H27F3N4O and a molecular weight of 444.50 g/mol. Its IUPAC name is 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
PubChem CID168920688
Molecular FormulaC24H27F3N4O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
SMILESFC(F)(F)c1ccc(N2CC3(CC(C(c4cccnc4)N4CCC5(COC5)C4)C3)C2)cn1
InChIInChI=1S/C24H27F3N4O/c25-24(26,27)20-4-3-19(11-29-20)31-13-23(14-31)8-18(9-23)21(17-2-1-6-28-10-17)30-7-5-22(12-30)15-32-16-22/h1-4,6,10-11,18,21H,5,7-9,12-16H2
InChIKeyUGRVGEYDMSJNER-UHFFFAOYSA-N
XLogP4.18
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane (CID 168920688) is 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane is FC(F)(F)c1ccc(N2CC3(CC(C(c4cccnc4)N4CCC5(COC5)C4)C3)C2)cn1.
What is the InChIKey of 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is UGRVGEYDMSJNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O/c25-24(26,27)20-4-3-19(11-29-20)31-13-23(14-31)8-18(9-23)21(17-2-1-6-28-10-17)30-7-5-22(12-30)15-32-16-22/h1-4,6,10-11,18,21H,5,7-9,12-16H2.
What are the key properties of 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane?
7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 444.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 168920688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).