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

C17H14BrF3N2O — CID 166499599

IUPAC(4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol
SMILESOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4cc(Br)ccc43)N=C12
InChIInChI=1S/C17H14BrF3N2O/c18-12-3-4-13-10(6-12)2-1-5-16(13)9-23-8-11(17(19,20)21)7-14(24)15(23)22-16/h3-4,6-8,24H,1-2,5,9H2/t16-/m1/s1
InChIKeyIPWBIKYEXJGNMC-MRXNPFEDSA-N
MW399.21 g/mol
LogP4.60
Rot. Bonds

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

(4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol (PubChem CID 166499599) has the molecular formula C17H14BrF3N2O and a molecular weight of 399.21 g/mol. Its IUPAC name is (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol.

Molecular Properties

Compound Name(4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol
PubChem CID166499599
Molecular FormulaC17H14BrF3N2O
Molecular Weight399.21 g/mol
Exact Mass398.02
IUPAC Name(4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol
SMILESOC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4cc(Br)ccc43)N=C12
InChIInChI=1S/C17H14BrF3N2O/c18-12-3-4-13-10(6-12)2-1-5-16(13)9-23-8-11(17(19,20)21)7-14(24)15(23)22-16/h3-4,6-8,24H,1-2,5,9H2/t16-/m1/s1
InChIKeyIPWBIKYEXJGNMC-MRXNPFEDSA-N
XLogP4.60
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol?
The IUPAC name of (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol (CID 166499599) is (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol.
What is the SMILES notation for (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol?
The canonical SMILES for (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol is OC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4cc(Br)ccc43)N=C12.
What is the InChIKey of (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol?
The InChIKey is IPWBIKYEXJGNMC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14BrF3N2O/c18-12-3-4-13-10(6-12)2-1-5-16(13)9-23-8-11(17(19,20)21)7-14(24)15(23)22-16/h3-4,6-8,24H,1-2,5,9H2/t16-/m1/s1.
What are the key properties of (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol?
(4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol has a molecular weight of 399.21 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-6'-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-8'-ol is sourced from PubChem (CID 166499599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).