(1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile

C18H11BrF5N3O — CID 166499813

IUPAC(1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCC(F)(F)c4c3ccc(Br)c4F)N=C2C(OC(F)F)=C1
InChIInChI=1S/C18H11BrF5N3O/c19-11-2-1-10-13(14(11)20)18(23,24)4-3-17(10)8-27-7-9(6-25)5-12(15(27)26-17)28-16(21)22/h1-2,5,7,16H,3-4,8H2/t17-/m1/s1
InChIKeyVMAVUDCOCWNVMD-QGZVFWFLSA-N
MW460.20 g/mol
LogP4.93
Rot. Bonds2

About (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile

(1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (PubChem CID 166499813) has the molecular formula C18H11BrF5N3O and a molecular weight of 460.20 g/mol. Its IUPAC name is (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.

Molecular Properties

Compound Name(1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
PubChem CID166499813
Molecular FormulaC18H11BrF5N3O
Molecular Weight460.20 g/mol
Exact Mass459.00
IUPAC Name(1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCC(F)(F)c4c3ccc(Br)c4F)N=C2C(OC(F)F)=C1
InChIInChI=1S/C18H11BrF5N3O/c19-11-2-1-10-13(14(11)20)18(23,24)4-3-17(10)8-27-7-9(6-25)5-12(15(27)26-17)28-16(21)22/h1-2,5,7,16H,3-4,8H2/t17-/m1/s1
InChIKeyVMAVUDCOCWNVMD-QGZVFWFLSA-N
XLogP4.93
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.20
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile with MolForge

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Related Compounds

US12226405, Example 13
CID 163565572
US12226405, Example 4
CID 163597954
US12226405, Example 8
CID 164069857
US12226405, Example 91
CID 166499523
US12226405, Example 85
CID 166499549
US12226405, Example 17
CID 166499552
US12226405, Example 5
CID 166499564
US12226405, Example 72
CID 166499584
US12226405, Example 9
CID 166499622
US12226405, Example 11
CID 166499645
US12226405, Example 23
CID 166499647
US12226405, Example 35
CID 166499666

Frequently Asked Questions

What is the IUPAC name of (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The IUPAC name of (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (CID 166499813) is (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.
What is the SMILES notation for (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The canonical SMILES for (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is N#CC1=CN2C[C@@]3(CCC(F)(F)c4c3ccc(Br)c4F)N=C2C(OC(F)F)=C1.
What is the InChIKey of (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The InChIKey is VMAVUDCOCWNVMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H11BrF5N3O/c19-11-2-1-10-13(14(11)20)18(23,24)4-3-17(10)8-27-7-9(6-25)5-12(15(27)26-17)28-16(21)22/h1-2,5,7,16H,3-4,8H2/t17-/m1/s1.
What are the key properties of (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
(1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile has a molecular weight of 460.20 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-bromo-8'-(difluoromethoxy)-4,4,5-trifluorospiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is sourced from PubChem (CID 166499813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).