(3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]

C17H12BrF5N2O — CID 166499564

IUPAC(3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4c3ccc(Br)c4F)N=C12
InChIInChI=1S/C17H12BrF5N2O/c18-12-2-1-11-10(14(12)20)3-4-16(11)7-25-6-9(17(21,22)23)5-13(26-8-19)15(25)24-16/h1-2,5-6H,3-4,7-8H2/t16-/m1/s1
InChIKeyGMBOXXIMYFCQBM-MRXNPFEDSA-N
MW435.19 g/mol
LogP4.73
Rot. Bonds2

About (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]

(3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499564) has the molecular formula C17H12BrF5N2O and a molecular weight of 435.19 g/mol. Its IUPAC name is (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499564
Molecular FormulaC17H12BrF5N2O
Molecular Weight435.19 g/mol
Exact Mass434.01
IUPAC Name(3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
SMILESFCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4c3ccc(Br)c4F)N=C12
InChIInChI=1S/C17H12BrF5N2O/c18-12-2-1-11-10(14(12)20)3-4-16(11)7-25-6-9(17(21,22)23)5-13(26-8-19)15(25)24-16/h1-2,5-6H,3-4,7-8H2/t16-/m1/s1
InChIKeyGMBOXXIMYFCQBM-MRXNPFEDSA-N
XLogP4.73
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (CID 166499564) is (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is FCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCc4c3ccc(Br)c4F)N=C12.
What is the InChIKey of (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is GMBOXXIMYFCQBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12BrF5N2O/c18-12-2-1-11-10(14(12)20)3-4-16(11)7-25-6-9(17(21,22)23)5-13(26-8-19)15(25)24-16/h1-2,5-6H,3-4,7-8H2/t16-/m1/s1.
What are the key properties of (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
(3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 435.19 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-bromo-7-fluoro-8'-(fluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).