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

C17H12BrF5N2O — CID 166499584

IUPAC(3S)-6-bromo-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(CCc4cc(Br)ccc43)N=C12
InChIInChI=1S/C17H12BrF5N2O/c18-11-1-2-12-9(5-11)3-4-16(12)8-25-7-10(17(21,22)23)6-13(14(25)24-16)26-15(19)20/h1-2,5-7,15H,3-4,8H2/t16-/m1/s1
InChIKeyZIROREGMHCIXEZ-MRXNPFEDSA-N
MW435.19 g/mol
LogP4.89
Rot. Bonds2

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

(3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499584) has the molecular formula C17H12BrF5N2O and a molecular weight of 435.19 g/mol. Its IUPAC name is (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499584
Molecular FormulaC17H12BrF5N2O
Molecular Weight435.19 g/mol
Exact Mass434.01
IUPAC Name(3S)-6-bromo-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(CCc4cc(Br)ccc43)N=C12
InChIInChI=1S/C17H12BrF5N2O/c18-11-1-2-12-9(5-11)3-4-16(12)8-25-7-10(17(21,22)23)6-13(14(25)24-16)26-15(19)20/h1-2,5-7,15H,3-4,8H2/t16-/m1/s1
InChIKeyZIROREGMHCIXEZ-MRXNPFEDSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] (CID 166499584) is (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3S)-6-bromo-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(CCc4cc(Br)ccc43)N=C12.
What is the InChIKey of (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is ZIROREGMHCIXEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12BrF5N2O/c18-11-1-2-12-9(5-11)3-4-16(12)8-25-7-10(17(21,22)23)6-13(14(25)24-16)26-15(19)20/h1-2,5-7,15H,3-4,8H2/t16-/m1/s1.
What are the key properties of (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]?
(3S)-6-bromo-8'-(difluoromethoxy)-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 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).