(4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one

C18H12BrF5N2O2 — CID 166499782

IUPAC(4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one
SMILESO=C1CC[C@@]2(CN3C=C(C(F)(F)F)C=C(OC(F)F)C3=N2)c2ccc(Br)cc21
InChIInChI=1S/C18H12BrF5N2O2/c19-10-1-2-12-11(6-10)13(27)3-4-17(12)8-26-7-9(18(22,23)24)5-14(15(26)25-17)28-16(20)21/h1-2,5-7,16H,3-4,8H2/t17-/m1/s1
InChIKeyYOCIMKJWUISDBV-QGZVFWFLSA-N
MW463.20 g/mol
LogP4.92
Rot. Bonds2

About (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one

(4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one (PubChem CID 166499782) has the molecular formula C18H12BrF5N2O2 and a molecular weight of 463.20 g/mol. Its IUPAC name is (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one.

Molecular Properties

Compound Name(4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one
PubChem CID166499782
Molecular FormulaC18H12BrF5N2O2
Molecular Weight463.20 g/mol
Exact Mass462.00
IUPAC Name(4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one
SMILESO=C1CC[C@@]2(CN3C=C(C(F)(F)F)C=C(OC(F)F)C3=N2)c2ccc(Br)cc21
InChIInChI=1S/C18H12BrF5N2O2/c19-10-1-2-12-11(6-10)13(27)3-4-17(12)8-26-7-9(18(22,23)24)5-14(15(26)25-17)28-16(20)21/h1-2,5-7,16H,3-4,8H2/t17-/m1/s1
InChIKeyYOCIMKJWUISDBV-QGZVFWFLSA-N
XLogP4.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.20
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
The IUPAC name of (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one (CID 166499782) is (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one.
What is the SMILES notation for (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
The canonical SMILES for (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one is O=C1CC[C@@]2(CN3C=C(C(F)(F)F)C=C(OC(F)F)C3=N2)c2ccc(Br)cc21.
What is the InChIKey of (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
The InChIKey is YOCIMKJWUISDBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H12BrF5N2O2/c19-10-1-2-12-11(6-10)13(27)3-4-17(12)8-26-7-9(18(22,23)24)5-14(15(26)25-17)28-16(20)21/h1-2,5-7,16H,3-4,8H2/t17-/m1/s1.
What are the key properties of (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one?
(4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one has a molecular weight of 463.20 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-1-one is sourced from PubChem (CID 166499782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).