(3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile

C17H12F2IN3O — CID 166499795

IUPAC(3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCc4cc(I)ccc43)N=C2C(OC(F)F)=C1
InChIInChI=1S/C17H12F2IN3O/c18-16(19)24-14-5-10(7-21)8-23-9-17(22-15(14)23)4-3-11-6-12(20)1-2-13(11)17/h1-2,5-6,8,16H,3-4,9H2/t17-/m1/s1
InChIKeyCRIIJQPNFXIAPX-QGZVFWFLSA-N
MW439.20 g/mol
LogP3.69
Rot. Bonds2

About (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile

(3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (PubChem CID 166499795) has the molecular formula C17H12F2IN3O and a molecular weight of 439.20 g/mol. Its IUPAC name is (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.

Molecular Properties

Compound Name(3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
PubChem CID166499795
Molecular FormulaC17H12F2IN3O
Molecular Weight439.20 g/mol
Exact Mass439.00
IUPAC Name(3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCc4cc(I)ccc43)N=C2C(OC(F)F)=C1
InChIInChI=1S/C17H12F2IN3O/c18-16(19)24-14-5-10(7-21)8-23-9-17(22-15(14)23)4-3-11-6-12(20)1-2-13(11)17/h1-2,5-6,8,16H,3-4,9H2/t17-/m1/s1
InChIKeyCRIIJQPNFXIAPX-QGZVFWFLSA-N
XLogP3.69
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The IUPAC name of (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (CID 166499795) is (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.
What is the SMILES notation for (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The canonical SMILES for (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is N#CC1=CN2C[C@@]3(CCc4cc(I)ccc43)N=C2C(OC(F)F)=C1.
What is the InChIKey of (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The InChIKey is CRIIJQPNFXIAPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H12F2IN3O/c18-16(19)24-14-5-10(7-21)8-23-9-17(22-15(14)23)4-3-11-6-12(20)1-2-13(11)17/h1-2,5-6,8,16H,3-4,9H2/t17-/m1/s1.
What are the key properties of (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
(3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile has a molecular weight of 439.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8'-(difluoromethoxy)-6-iodospiro[1,2-dihydroindene-3,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is sourced from PubChem (CID 166499795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).