(4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

C18H15BrF4N2O — CID 166499751

IUPAC(4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4c3ccc(Br)c4F)N=C12
InChIInChI=1S/C18H15BrF4N2O/c1-26-14-7-10(18(21,22)23)8-25-9-17(24-16(14)25)6-2-3-11-12(17)4-5-13(19)15(11)20/h4-5,7-8H,2-3,6,9H2,1H3/t17-/m1/s1
InChIKeyQUAZZQBRYJWJNM-QGZVFWFLSA-N
MW431.23 g/mol
LogP4.82
Rot. Bonds1

About (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499751) has the molecular formula C18H15BrF4N2O and a molecular weight of 431.23 g/mol. Its IUPAC name is (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499751
Molecular FormulaC18H15BrF4N2O
Molecular Weight431.23 g/mol
Exact Mass430.03
IUPAC Name(4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESCOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4c3ccc(Br)c4F)N=C12
InChIInChI=1S/C18H15BrF4N2O/c1-26-14-7-10(18(21,22)23)8-25-9-17(24-16(14)25)6-2-3-11-12(17)4-5-13(19)15(11)20/h4-5,7-8H,2-3,6,9H2,1H3/t17-/m1/s1
InChIKeyQUAZZQBRYJWJNM-QGZVFWFLSA-N
XLogP4.82
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] 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 (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499751) is (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is COC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4c3ccc(Br)c4F)N=C12.
What is the InChIKey of (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is QUAZZQBRYJWJNM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15BrF4N2O/c1-26-14-7-10(18(21,22)23)8-25-9-17(24-16(14)25)6-2-3-11-12(17)4-5-13(19)15(11)20/h4-5,7-8H,2-3,6,9H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 431.23 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-8-fluoro-8'-methoxy-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).