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

C20H20FN3 — CID 135306253

IUPAC5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
SMILESCC1(C)N=C(c2cnc3ccccn23)c2cccc(F)c2C1(C)C
InChIInChI=1S/C20H20FN3/c1-19(2)17-13(8-7-9-14(17)21)18(23-20(19,3)4)15-12-22-16-10-5-6-11-24(15)16/h5-12H,1-4H3
InChIKeyGHVZSFFESKVCIO-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.38
Rot. Bonds1

About 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline

5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline (PubChem CID 135306253) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline.

Molecular Properties

Compound Name5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
PubChem CID135306253
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
SMILESCC1(C)N=C(c2cnc3ccccn23)c2cccc(F)c2C1(C)C
InChIInChI=1S/C20H20FN3/c1-19(2)17-13(8-7-9-14(17)21)18(23-20(19,3)4)15-12-22-16-10-5-6-11-24(15)16/h5-12H,1-4H3
InChIKeyGHVZSFFESKVCIO-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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
The IUPAC name of 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline (CID 135306253) is 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline.
What is the SMILES notation for 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
The canonical SMILES for 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline is CC1(C)N=C(c2cnc3ccccn23)c2cccc(F)c2C1(C)C.
What is the InChIKey of 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
The InChIKey is GHVZSFFESKVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-19(2)17-13(8-7-9-14(17)21)18(23-20(19,3)4)15-12-22-16-10-5-6-11-24(15)16/h5-12H,1-4H3.
What are the key properties of 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline?
5-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 5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline is sourced from PubChem (CID 135306253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).