tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate

C24H22FN3O2 — CID 68543160

IUPACtert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F
InChIInChI=1S/C24H22FN3O2/c1-24(2,3)30-23(29)14-18-4-5-19(12-20(18)25)21-15-27-22-13-17(8-11-28(21)22)16-6-9-26-10-7-16/h4-13,15H,14H2,1-3H3
InChIKeyIGPLRDJOGDFJJH-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.09
Rot. Bonds4

About tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate

tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate (PubChem CID 68543160) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
PubChem CID68543160
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Nametert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F
InChIInChI=1S/C24H22FN3O2/c1-24(2,3)30-23(29)14-18-4-5-19(12-20(18)25)21-15-27-22-13-17(8-11-28(21)22)16-6-9-26-10-7-16/h4-13,15H,14H2,1-3H3
InChIKeyIGPLRDJOGDFJJH-UHFFFAOYSA-N
XLogP5.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate?
The IUPAC name of tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate (CID 68543160) is tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate?
The canonical SMILES for tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate is CC(C)(C)OC(=O)Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1F.
What is the InChIKey of tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate?
The InChIKey is IGPLRDJOGDFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-24(2,3)30-23(29)14-18-4-5-19(12-20(18)25)21-15-27-22-13-17(8-11-28(21)22)16-6-9-26-10-7-16/h4-13,15H,14H2,1-3H3.
What are the key properties of tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate?
tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate has a molecular weight of 403.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate is sourced from PubChem (CID 68543160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).