1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]

C17H10Cl2F5N3O — CID 176697409

IUPAC1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2CC3(CC(Cl)=Cc4c3ccnc4Cl)N=C12
InChIInChI=1S/C17H10Cl2F5N3O/c18-9-4-10-11(1-2-25-13(10)19)16(5-9)7-27-6-8(17(22,23)24)3-12(14(27)26-16)28-15(20)21/h1-4,6,15H,5,7H2
InChIKeyGPRIKOCCGMDFPK-UHFFFAOYSA-N
MW438.18 g/mol
LogP5.21
Rot. Bonds2

About 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]

1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline] (PubChem CID 176697409) has the molecular formula C17H10Cl2F5N3O and a molecular weight of 438.18 g/mol. Its IUPAC name is 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline].

Molecular Properties

Compound Name1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]
PubChem CID176697409
Molecular FormulaC17H10Cl2F5N3O
Molecular Weight438.18 g/mol
Exact Mass437.01
IUPAC Name1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]
SMILESFC(F)OC1=CC(C(F)(F)F)=CN2CC3(CC(Cl)=Cc4c3ccnc4Cl)N=C12
InChIInChI=1S/C17H10Cl2F5N3O/c18-9-4-10-11(1-2-25-13(10)19)16(5-9)7-27-6-8(17(22,23)24)3-12(14(27)26-16)28-15(20)21/h1-4,6,15H,5,7H2
InChIKeyGPRIKOCCGMDFPK-UHFFFAOYSA-N
XLogP5.21
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.18
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline] 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 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]?
The IUPAC name of 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline] (CID 176697409) is 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline].
What is the SMILES notation for 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]?
The canonical SMILES for 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline] is FC(F)OC1=CC(C(F)(F)F)=CN2CC3(CC(Cl)=Cc4c3ccnc4Cl)N=C12.
What is the InChIKey of 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]?
The InChIKey is GPRIKOCCGMDFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F5N3O/c18-9-4-10-11(1-2-25-13(10)19)16(5-9)7-27-6-8(17(22,23)24)3-12(14(27)26-16)28-15(20)21/h1-4,6,15H,5,7H2.
What are the key properties of 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline]?
1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline] has a molecular weight of 438.18 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',7'-dichloro-8-(difluoromethoxy)-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6H-isoquinoline] is sourced from PubChem (CID 176697409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).