8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

C21H18F4N4O2 — CID 25254067

IUPAC8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1cccc2c1OC1(CC2)CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C21H18F4N4O2/c22-15-3-1-2-13-6-7-20(30-17(13)15)8-10-29(11-9-20)16-5-4-14(12-26-16)18-27-19(31-28-18)21(23,24)25/h1-5,12H,6-11H2
InChIKeyCAEBPJVMBJBBAJ-UHFFFAOYSA-N
MW434.39 g/mol
LogP4.65
Rot. Bonds2

About 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 25254067) has the molecular formula C21H18F4N4O2 and a molecular weight of 434.39 g/mol. Its IUPAC name is 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID25254067
Molecular FormulaC21H18F4N4O2
Molecular Weight434.39 g/mol
Exact Mass434.14
IUPAC Name8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1cccc2c1OC1(CC2)CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C21H18F4N4O2/c22-15-3-1-2-13-6-7-20(30-17(13)15)8-10-29(11-9-20)16-5-4-14(12-26-16)18-27-19(31-28-18)21(23,24)25/h1-5,12H,6-11H2
InChIKeyCAEBPJVMBJBBAJ-UHFFFAOYSA-N
XLogP4.65
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 25254067) is 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is Fc1cccc2c1OC1(CC2)CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.
What is the InChIKey of 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is CAEBPJVMBJBBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2/c22-15-3-1-2-13-6-7-20(30-17(13)15)8-10-29(11-9-20)16-5-4-14(12-26-16)18-27-19(31-28-18)21(23,24)25/h1-5,12H,6-11H2.
What are the key properties of 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 434.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 25254067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).