(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

C17H13BrClF3N2O — CID 166499835

IUPAC(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1CCC[C@@]21CN2C=C(Cl)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H13BrClF3N2O/c18-12-4-3-11-10(14(12)20)2-1-5-17(11)8-24-7-9(19)6-13(15(24)23-17)25-16(21)22/h3-4,6-7,16H,1-2,5,8H2/t17-/m1/s1
InChIKeyLKCXRSFGYZOJIH-QGZVFWFLSA-N
MW433.66 g/mol
LogP5.05
Rot. Bonds2

About (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499835) has the molecular formula C17H13BrClF3N2O and a molecular weight of 433.66 g/mol. Its IUPAC name is (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499835
Molecular FormulaC17H13BrClF3N2O
Molecular Weight433.66 g/mol
Exact Mass431.99
IUPAC Name(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFc1c(Br)ccc2c1CCC[C@@]21CN2C=C(Cl)C=C(OC(F)F)C2=N1
InChIInChI=1S/C17H13BrClF3N2O/c18-12-4-3-11-10(14(12)20)2-1-5-17(11)8-24-7-9(19)6-13(15(24)23-17)25-16(21)22/h3-4,6-7,16H,1-2,5,8H2/t17-/m1/s1
InChIKeyLKCXRSFGYZOJIH-QGZVFWFLSA-N
XLogP5.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.66
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499835) is (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is Fc1c(Br)ccc2c1CCC[C@@]21CN2C=C(Cl)C=C(OC(F)F)C2=N1.
What is the InChIKey of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is LKCXRSFGYZOJIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13BrClF3N2O/c18-12-4-3-11-10(14(12)20)2-1-5-17(11)8-24-7-9(19)6-13(15(24)23-17)25-16(21)22/h3-4,6-7,16H,1-2,5,8H2/t17-/m1/s1.
What are the key properties of (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 433.66 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-6'-chloro-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).