(3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]

C17H13F5N2O — CID 166499725

IUPAC(3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4ccccc43)N=C12
InChIInChI=1S/C17H13F5N2O/c18-15(19)25-13-7-11(17(20,21)22)8-24-9-16(23-14(13)24)6-5-10-3-1-2-4-12(10)16/h1-4,7-8,15H,5-6,9H2/t16-/m1/s1
InChIKeyAETMXVXZKJWVRM-MRXNPFEDSA-N
MW356.29 g/mol
LogP4.13
Rot. Bonds2

About (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]

(3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499725) has the molecular formula C17H13F5N2O and a molecular weight of 356.29 g/mol. Its IUPAC name is (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499725
Molecular FormulaC17H13F5N2O
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC Name(3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4ccccc43)N=C12
InChIInChI=1S/C17H13F5N2O/c18-15(19)25-13-7-11(17(20,21)22)8-24-9-16(23-14(13)24)6-5-10-3-1-2-4-12(10)16/h1-4,7-8,15H,5-6,9H2/t16-/m1/s1
InChIKeyAETMXVXZKJWVRM-MRXNPFEDSA-N
XLogP4.13
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (CID 166499725) is (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is FC(F)OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4ccccc43)N=C12.
What is the InChIKey of (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is AETMXVXZKJWVRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13F5N2O/c18-15(19)25-13-7-11(17(20,21)22)8-24-9-16(23-14(13)24)6-5-10-3-1-2-4-12(10)16/h1-4,7-8,15H,5-6,9H2/t16-/m1/s1.
What are the key properties of (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
(3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 356.29 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).