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

C17H10BrF7N2O2 — CID 174231636

IUPAC(3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1OC[C@@H](F)C21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H10BrF7N2O2/c18-9-2-1-8-13(12(9)20)28-5-11(19)16(8)6-27-4-7(17(23,24)25)3-10(14(27)26-16)29-15(21)22/h1-4,11,15H,5-6H2/t11-,16?/m1/s1
InChIKeyUVJGBRYRDIJLAJ-ZVDHGWRTSA-N
MW487.17 g/mol
LogP4.81
Rot. Bonds2

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

(3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 174231636) has the molecular formula C17H10BrF7N2O2 and a molecular weight of 487.17 g/mol. Its IUPAC name is (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID174231636
Molecular FormulaC17H10BrF7N2O2
Molecular Weight487.17 g/mol
Exact Mass485.98
IUPAC Name(3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1OC[C@@H](F)C21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H10BrF7N2O2/c18-9-2-1-8-13(12(9)20)28-5-11(19)16(8)6-27-4-7(17(23,24)25)3-10(14(27)26-16)29-15(21)22/h1-4,11,15H,5-6H2/t11-,16?/m1/s1
InChIKeyUVJGBRYRDIJLAJ-ZVDHGWRTSA-N
XLogP4.81
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.17
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499648
6-bromo-4-chloro-8'-(difluoromethoxy)-5-fluoro-4-iodo-6'-(trifluoromethyl)spiro[2,3-dihydronaphthalene-1,2'-3H-imidazo[1,2-a]pyridine]
CID 176697408
(4R)-8'-(difluoromethoxy)-8-fluoro-6'-(trifluoromethyl)spiro[1,3-dihydroisochromene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499633
8-bromo-8'-(difluoromethoxy)-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499852
(5S)-8'-(difluoromethoxy)-9-fluoro-6'-(trifluoromethyl)spiro[3,4-dihydro-2H-1-benzoxepine-5,2'-3H-imidazo[1,2-a]pyridine]
CID 166499582
1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]
CID 176697409
(4S)-7-bromo-8'-chloro-8-fluoro-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
CID 166499830
[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol
CID 166499709
N-[(3R,4S)-7-bromo-4-cyano-3,8-difluoro-2,3-dihydrochromen-4-yl]-2-methylpropane-2-sulfinamide
CID 166499732
(3R,4S)-7-bromo-4-(tert-butylsulfinylamino)-3,8-difluoro-2,3-dihydrochromene-4-carboxamide
CID 167252455
(4S)-7'-bromo-8'-fluoro-3-[3-(fluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]spiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
CID 166499539
4-bromo-2-(difluoromethoxy)-3-fluorophenol
CID 118834241

Frequently Asked Questions

What is the IUPAC name of (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 174231636) is (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Br)ccc2c1OC[C@@H](F)C21CN2C=C(C(F)(F)F)C=C(OC(F)F)C2=N1.
What is the InChIKey of (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is UVJGBRYRDIJLAJ-ZVDHGWRTSA-N. The full InChI is InChI=1S/C17H10BrF7N2O2/c18-9-2-1-8-13(12(9)20)28-5-11(19)16(8)6-27-4-7(17(23,24)25)3-10(14(27)26-16)29-15(21)22/h1-4,11,15H,5-6H2/t11-,16?/m1/s1.
What are the key properties of (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine]?
(3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 487.17 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-bromo-8'-(difluoromethoxy)-3,8-difluoro-6'-(trifluoromethyl)spiro[2,3-dihydrochromene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 174231636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).