2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

C25H18F2N4O — CID 122179442

IUPAC2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
InChIKeyHLMASOKCFIFSOF-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.78
Rot. Bonds4

About 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (PubChem CID 122179442) has the molecular formula C25H18F2N4O and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
PubChem CID122179442
Molecular FormulaC25H18F2N4O
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
InChIKeyHLMASOKCFIFSOF-UHFFFAOYSA-N
XLogP4.78
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The IUPAC name of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (CID 122179442) is 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The InChIKey is HLMASOKCFIFSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32).
What are the key properties of 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide has a molecular weight of 428.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 122179442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).