3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

C25H19FN4O — CID 71666670

IUPAC3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
InChIInChI=1S/C25H19FN4O/c1-27-25(31)19-5-2-4-17(12-19)20-13-22(26)24-29-14-21(30(24)15-20)11-16-7-8-23-18(10-16)6-3-9-28-23/h2-10,12-15H,11H2,1H3,(H,27,31)
InChIKeyQZJRILHHQOUNIE-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.64
Rot. Bonds4

About 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (PubChem CID 71666670) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
PubChem CID71666670
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
InChIInChI=1S/C25H19FN4O/c1-27-25(31)19-5-2-4-17(12-19)20-13-22(26)24-29-14-21(30(24)15-20)11-16-7-8-23-18(10-16)6-3-9-28-23/h2-10,12-15H,11H2,1H3,(H,27,31)
InChIKeyQZJRILHHQOUNIE-UHFFFAOYSA-N
XLogP4.64
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The IUPAC name of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (CID 71666670) is 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The canonical SMILES for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1.
What is the InChIKey of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The InChIKey is QZJRILHHQOUNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O/c1-27-25(31)19-5-2-4-17(12-19)20-13-22(26)24-29-14-21(30(24)15-20)11-16-7-8-23-18(10-16)6-3-9-28-23/h2-10,12-15H,11H2,1H3,(H,27,31).
What are the key properties of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide has a molecular weight of 410.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 71666670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).