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

C18H14F3N3O — CID 166499666

IUPAC(4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCCc4cc(F)ccc43)N=C2C(OC(F)F)=C1
InChIInChI=1S/C18H14F3N3O/c19-13-3-4-14-12(7-13)2-1-5-18(14)10-24-9-11(8-22)6-15(16(24)23-18)25-17(20)21/h3-4,6-7,9,17H,1-2,5,10H2/t18-/m1/s1
InChIKeyUXEBKQRZJKNTKF-GOSISDBHSA-N
MW345.32 g/mol
LogP3.62
Rot. Bonds2

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

(4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (PubChem CID 166499666) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.

Molecular Properties

Compound Name(4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
PubChem CID166499666
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name(4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCCc4cc(F)ccc43)N=C2C(OC(F)F)=C1
InChIInChI=1S/C18H14F3N3O/c19-13-3-4-14-12(7-13)2-1-5-18(14)10-24-9-11(8-22)6-15(16(24)23-18)25-17(20)21/h3-4,6-7,9,17H,1-2,5,10H2/t18-/m1/s1
InChIKeyUXEBKQRZJKNTKF-GOSISDBHSA-N
XLogP3.62
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The IUPAC name of (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (CID 166499666) is (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.
What is the SMILES notation for (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The canonical SMILES for (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is N#CC1=CN2C[C@@]3(CCCc4cc(F)ccc43)N=C2C(OC(F)F)=C1.
What is the InChIKey of (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The InChIKey is UXEBKQRZJKNTKF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-13-3-4-14-12(7-13)2-1-5-18(14)10-24-9-11(8-22)6-15(16(24)23-18)25-17(20)21/h3-4,6-7,9,17H,1-2,5,10H2/t18-/m1/s1.
What are the key properties of (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
(4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile has a molecular weight of 345.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-(difluoromethoxy)-7-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is sourced from PubChem (CID 166499666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).