7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline

C20H20FN3 — CID 135306264

IUPAC7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
SMILESCC1(C)N=C(c2cnc3ccccn23)c2cc(F)ccc2C1(C)C
InChIInChI=1S/C20H20FN3/c1-19(2)15-9-8-13(21)11-14(15)18(23-20(19,3)4)16-12-22-17-7-5-6-10-24(16)17/h5-12H,1-4H3
InChIKeyJTDYHUISJWPHRK-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.38
Rot. Bonds1

About 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline

7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline (PubChem CID 135306264) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline.

Molecular Properties

Compound Name7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
PubChem CID135306264
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
SMILESCC1(C)N=C(c2cnc3ccccn23)c2cc(F)ccc2C1(C)C
InChIInChI=1S/C20H20FN3/c1-19(2)15-9-8-13(21)11-14(15)18(23-20(19,3)4)16-12-22-17-7-5-6-10-24(16)17/h5-12H,1-4H3
InChIKeyJTDYHUISJWPHRK-UHFFFAOYSA-N
XLogP4.38
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline 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 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
The IUPAC name of 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline (CID 135306264) is 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline.
What is the SMILES notation for 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
The canonical SMILES for 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline is CC1(C)N=C(c2cnc3ccccn23)c2cc(F)ccc2C1(C)C.
What is the InChIKey of 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
The InChIKey is JTDYHUISJWPHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-19(2)15-9-8-13(21)11-14(15)18(23-20(19,3)4)16-12-22-17-7-5-6-10-24(16)17/h5-12H,1-4H3.
What are the key properties of 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline has a molecular weight of 321.40 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline is sourced from PubChem (CID 135306264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).