2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone

C23H19F6N3O4 — CID 162763681

IUPAC2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1)N1CCOC2(COC2)C1
InChIInChI=1S/C23H19F6N3O4/c24-22(25,26)13-35-18-4-2-1-3-15(18)16-7-14(23(27,28)29)8-32-9-17(30-19(16)32)20(33)31-5-6-36-21(10-31)11-34-12-21/h1-4,7-9H,5-6,10-13H2
InChIKeyQDVBWGFSZXFSMZ-UHFFFAOYSA-N
MW515.41 g/mol
LogP4.20
Rot. Bonds4

About 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone

2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 162763681) has the molecular formula C23H19F6N3O4 and a molecular weight of 515.41 g/mol. Its IUPAC name is 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID162763681
Molecular FormulaC23H19F6N3O4
Molecular Weight515.41 g/mol
Exact Mass515.13
IUPAC Name2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1)N1CCOC2(COC2)C1
InChIInChI=1S/C23H19F6N3O4/c24-22(25,26)13-35-18-4-2-1-3-15(18)16-7-14(23(27,28)29)8-32-9-17(30-19(16)32)20(33)31-5-6-36-21(10-31)11-34-12-21/h1-4,7-9H,5-6,10-13H2
InChIKeyQDVBWGFSZXFSMZ-UHFFFAOYSA-N
XLogP4.20
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 162763681) is 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is O=C(c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1)N1CCOC2(COC2)C1.
What is the InChIKey of 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is QDVBWGFSZXFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N3O4/c24-22(25,26)13-35-18-4-2-1-3-15(18)16-7-14(23(27,28)29)8-32-9-17(30-19(16)32)20(33)31-5-6-36-21(10-31)11-34-12-21/h1-4,7-9H,5-6,10-13H2.
What are the key properties of 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 515.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxa-8-azaspiro[3.5]nonan-8-yl-[8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 162763681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).